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32S
32S
Name:6-Seleno-tryptophan
Formula:C9 H10 N2 O2 Se
SMILES:O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Synonyms:(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Definition date:2003-12-30
Last modified:2025-07-23
Identifier:3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine
32T
32T
Name:(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:C9 H10 N2 O2 S
SMILES:O=C(O)C(N)Cc2c1sccc1nc2
InChi:InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:2003-12-30
Last modified:2025-07-23
Identifier:3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine
3TY
3TY
Name:3-(Phenylhydrazono)-L-tyrosine
Formula:C16 H17 N3 O4
SMILES:O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
Synonyms:3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Definition date:2004-08-11
Last modified:2025-07-23
Identifier:3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
WQI
WQI
Name:2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:C14 H18 Cl I N2 O3 S
SMILES:ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(I)cc2
InChi:InChI=1S/C14H18ClIN2O3S/c15-9-14(19)17-10-11-5-7-18(8-6-11)22(20,21)13-3-1-12(16)2-4-13/h1-4,11H,5-10H2,(H,17,19)
Definition date:2023-10-10
Last modified:2025-07-21
Release date:2025-04-16
Identifier:2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
4DU
4DU
Name:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine
Formula:C11 H15 N4 O6 P
SMILES:O=P(O)(O)OCC1OC(CC1O)n1cnc2c1ccnc2N
InChi:InChI=1S/C11H15N4O6P/c12-11-10-6(1-2-13-11)15(5-14-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:2012-03-28
Last modified:2025-07-21
Identifier:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine
IZY
IZY
Name:Dolichol monophosphate beta-D-Mannose
Formula:C31 H55 O9 P
SMILES:C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26-,27+,28+,29-,30-,31-/m0/s1
Synonyms:[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate
Definition date:2022-04-22
Last modified:2025-07-18
Release date:2023-01-11
Identifier:[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate
A1ADQ
A1ADQ
Name:N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
Formula:C43 H32 Cl F9 N8 O5 S
SMILES:CCS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2N1C(=O)c2ccc(cc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCc21)C(F)(F)F)c1ccc(C=O)c(F)c1
InChi:InChI=1S/C43H32ClF9N8O5S/c1-2-67(65,66)58-39-36-29(44)10-11-34(37(36)60(57-39)20-42(48,49)50)61-40(55-31-16-23(8-9-27(31)41(61)64)22-6-7-24(19-62)30(47)15-22)32(14-21-12-25(45)17-26(46)13-21)54-35(63)18-59-33-5-3-4-28(33)38(56-59)43(51,52)53/h6-13,15-17,19,32H,2-5,14,18,20H2,1H3,(H,54,63)(H,57,58)
Definition date:2024-01-24
Last modified:2025-07-18
Release date:2025-07-23
Identifier:N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
A1AZD
A1AZD
Name:tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate
Formula:C29 H32 F N5 O5 S
SMILES:CC(C)(C)OC(=O)NCCOCCOc1ccccc1c1nnc(Nc2ccc(CC(N)=O)cc2F)c2ccsc12
InChi:InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)
Definition date:2024-07-16
Last modified:2025-07-18
Release date:2025-07-23
Identifier:tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate
A1AZV
A1AZV
Name:(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)
Formula:C47 H60 N6 O7
SMILES:CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC
InChi:InChI=1S/C47H60N6O7/c1-8-52-40-18-17-32-25-36(40)37(43(52)35-15-11-19-48-41(35)28(2)59-7)26-47(4,5)27-60-46(58)38-16-12-20-53(50-38)45(57)39(23-30-21-33(32)24-34(55)22-30)49-44(56)42(51(6)29(3)54)31-13-9-10-14-31/h11,15,17-19,21-22,24-25,28,31,38-39,42,50,55H,8-10,12-14,16,20,23,26-27H2,1-7H3,(H,49,56)/t28-,38+,39?,42?/m1/s1
Definition date:2024-07-25
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)
A1AZY
A1AZY
Name:(2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name)
Formula:C54 H70 N8 O8
SMILES:CC(N)C(=O)N1CCC2(C1)CCN(C2=O)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC
InChi:InChI=1S/C54H70N8O8/c1-7-60-44-17-16-36-28-40(44)41(47(60)39-14-10-20-56-45(39)33(3)69-6)29-53(4,5)31-70-51(67)42-15-11-21-62(58-42)50(66)43(26-34-24-37(36)27-38(63)25-34)57-48(64)46(35-12-8-9-13-35)61-23-19-54(52(61)68)18-22-59(30-54)49(65)32(2)55/h10,14,16-17,20,24-25,27-28,32-33,35,42-43,46,58,63H,7-9,11-13,15,18-19,21-23,26,29-31,55H2,1-6H3,(H,57,64)/t32?,33?,42?,43?,46?,54-/m0/s1
Definition date:2024-07-25
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name)
A1AZZ
A1AZZ
Name:(2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name)
Formula:C63 H90 F3 N11 O7
SMILES:CNC(CC1CC1)C(=O)N1CCC2(CCN(C2)C(C2CCCC2)C(=O)NC2CC3CN(CCO3)c3cc4c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c(c2cc(cnc2C(C)OC)N2CCN(CC2)C2CC2)n(CC(F)(F)F)c4cc3)C1
InChi:InChI=1S/C63H90F3N11O7/c1-40(82-5)54-48(31-45(34-68-54)72-25-23-71(24-26-72)43-14-15-43)56-49-33-61(2,3)39-84-60(81)50-11-8-20-77(70-50)59(80)52(32-46-35-73(27-28-83-46)44-16-17-53(47(49)30-44)76(56)38-63(64,65)66)69-57(78)55(42-9-6-7-10-42)74-21-18-62(36-74)19-22-75(37-62)58(79)51(67-4)29-41-12-13-41/h16-17,30-31,34,40-43,46,50-52,55,67,70H,6-15,18-29,32-33,35-39H2,1-5H3,(H,69,78)/t40-,46?,50+,51?,52?,55?,62+/m1/s1
Definition date:2024-07-25
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name)
A1B8E
A1B8E
Name:[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
Formula:C32 H37 Cl F N7 O2
SMILES:CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(C)F)c1cccc2cccc(Cl)c21
InChi:InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23+,24+/m1/s1
Definition date:2025-04-10
Last modified:2025-07-18
Release date:2025-07-23
Identifier:{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2R)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
A1BEA
A1BEA
Name:(2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name)
Formula:C60 H80 F3 N11 O6 S
SMILES:CN1C(C2CC2)C1C(=O)N1CCC2(CCN(C2)C(C(C)C)C(=O)NC2Cc3nc(cs3)c3ccc4n(CC(F)(F)F)c(c5cc(cnc5C(C)OC)N5CCN(CC5)C5CC5)c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c4c3)C1
InChi:InChI=1S/C60H80F3N11O6S/c1-35(2)50(71-19-16-59(31-71)17-20-72(32-59)56(77)53-51(68(53)6)37-10-11-37)54(75)66-45-27-48-65-46(30-81-48)38-12-15-47-41(25-38)43(28-58(4,5)34-80-57(78)44-9-8-18-74(67-44)55(45)76)52(73(47)33-60(61,62)63)42-26-40(29-64-49(42)36(3)79-7)70-23-21-69(22-24-70)39-13-14-39/h12,15,25-26,29-30,35-37,39,44-45,50-51,53,67H,8-11,13-14,16-24,27-28,31-34H2,1-7H3,(H,66,75)/t36-,44?,45?,50?,51?,53?,59+,68+/m1/s1
Definition date:2024-10-24
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name)
A1BTO
A1BTO
Name:(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
Formula:C28 H17 Cl N6 O2
SMILES:Clc1cccc(c1)C=1N(CC#C)C(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21
InChi:InChI=1S/C28H17ClN6O2/c1-2-14-33-25(18-9-7-10-20(29)15-18)26(35-23-13-6-5-12-22(23)31-32-35)27(36)34(28(33)37)24-17-30-16-19-8-3-4-11-21(19)24/h1,3-13,15-17H,14H2
Definition date:2025-01-16
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
A1BTP
A1BTP
Name:(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Formula:C23 H18 N6 O2
SMILES:CC=1N(CC=C)C(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21
InChi:InChI=1S/C23H18N6O2/c1-3-12-27-15(2)21(29-19-11-7-6-10-18(19)25-26-29)22(30)28(23(27)31)20-14-24-13-16-8-4-5-9-17(16)20/h3-11,13-14H,1,12H2,2H3
Synonyms:(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, bound form
Definition date:2025-01-16
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
A1ECB
A1ECB
Name:1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole
Formula:C15 H18 N2
SMILES:CC(C)(C)C1=NCCc2c1[nH]c3ccccc23
InChi:InChI=1S/C15H18N2/c1-15(2,3)14-13-11(8-9-16-14)10-6-4-5-7-12(10)17-13/h4-7,17H,8-9H2,1-3H3
Definition date:2024-09-25
Last modified:2025-07-18
Release date:2025-07-23
Identifier:1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole
A1EQF
A1EQF
Name:(5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione
Formula:C16 H22 Mn N4 O9
SMILES:O=C1C[N]2CCN3CC(=O)O[Mn](O[CH](C2)NCCN4C(=O)CCC4=O)(O1)OC(=O)C3
InChi:InChI=1S/C16H25N4O9.Mn/c21-11(17-3-4-20-12(22)1-2-13(20)23)7-18(8-14(24)25)5-6-19(9-15(26)27)10-16(28)29
Definition date:2025-05-13
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione
A1BWI
A1BWI
Name:5-ethyl-1,3-diazinane-2,4,6-trione
Formula:C6 H8 N2 O3
SMILES:O=C1NC(=O)NC(=O)C1CC
InChi:InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
Definition date:2025-02-11
Last modified:2025-07-18
Release date:2025-07-23
Identifier:5-ethyl-1,3-diazinane-2,4,6-trione
A1BWJ
A1BWJ
Name:5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Formula:C11 H10 N2 O4
SMILES:O=C1NC(=O)NC(=O)C1Cc1cccc(O)c1
InChi:InChI=1S/C11H10N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-4,8,14H,5H2,(H2,12,13,15,16,17)
Definition date:2025-02-11
Last modified:2025-07-18
Release date:2025-07-23
Identifier:5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
A1CAJ
A1CAJ
Name:(1S,5S,7S)-7-(2-methoxyphenyl)-8-oxaspiro[4.5]decan-1-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
Formula:C38 H50 N2 O8 S
SMILES:COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1CCCC21CCOC(C2)c1ccccc1OC
InChi:InChI=1S/C38H50N2O8S/c1-27(2)25-40(49(43,44)30-18-16-29(45-3)17-19-30)26-33(41)32(23-28-11-6-5-7-12-28)39-37(42)48-36-15-10-20-38(36)21-22-47-35(24-38)31-13-8-9-14-34(31)46-4/h5-9,11-14,16-19,27,32-33,35-36,41H,10,15,20-26H2,1-4H3,(H,39,42)/t32-,33+,35-,36-,38-/m0/s1
Definition date:2025-04-23
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(1S,5S,7S)-7-(2-methoxyphenyl)-8-oxaspiro[4.5]decan-1-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
A1CBZ
A1CBZ
Name:(6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one
Formula:C24 H20 F2 N6 O3
SMILES:CC(C)(O)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2c(OC(F)F)cccc2C4=O)cc1
InChi:InChI=1S/C24H20F2N6O3/c1-24(2,34)22-27-8-12(9-28-22)14-6-7-15-20(30-14)32-16-10-31(11-18(32)29-15)21(33)13-4-3-5-17(19(13)16)35-23(25)26/h3-9,16,23,34H,10-11H2,1-2H3/t16-/m1/s1
Definition date:2025-05-09
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one
A1CCE
A1CCE
Name:(4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
Formula:C26 H25 N9 O
SMILES:O=C1NCC2CN(CCN12)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2ccccc2C4)cc1
InChi:InChI=1S/C26H25N9O/c36-26-29-11-18-13-33(7-8-34(18)26)25-27-9-17(10-28-25)20-5-6-21-24(31-20)35-22-14-32(15-23(35)30-21)12-16-3-1-2-4-19(16)22/h1-6,9-10,18,22H,7-8,11-15H2,(H,29,36)/t18-,22-/m1/s1
Definition date:2025-05-12
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
A1I4D
A1I4D
Name:bis[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate
Formula:H9 O22 P7
SMILES:O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/H9O22P7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H2,1,2,3)(H2,4,5,6)
Definition date:2025-02-20
Last modified:2025-07-18
Release date:2025-07-23
Identifier:bis[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate
A1I89
A1I89
Name:(4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one
Formula:C39 H37 F3 N6 O5
SMILES:CC1(C)[CH](OC1=O)C(=O)N2[CH]3CC[CH]2CN(C3)c4nc(OC[C]56CCCN5C[CH](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89
InChi:InChI=1S/C39H37F3N6O5/c1-4-25-28(41)9-6-20-12-24(49)13-26(29(20)25)31-30(42)32-27(15-43-31)34(45-37(44-32)52-19-39-10-5-11-47(39)16-21(40)14-39)46-17-22-7-8-23(18-46)48(22)35(50)33-38(2,3)36(51)53-33/h1,6,9,12-13,15,21-23,33,49H,5,7-8,10-11,14,16-19H2,2-3H3/t21-,22-,23+,33+,39+/m1/s1
Definition date:2025-04-01
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one
A1I9E
A1I9E
Name:(2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid
Formula:C40 H41 F3 N6 O5
SMILES:CC[C](C)(CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78)C(O)=O
InChi:InChI=1S/C40H41F3N6O5/c1-4-27-30(42)10-7-22-13-26(50)14-28(32(22)27)34-33(43)35-29(17-44-34)36(46-38(45-35)54-21-40-11-6-12-48(40)18-23(41)15-40)47-19-24-8-9-25(20-47)49(24)31(51)16-39(3,5-2)37(52)53/h1,7,10,13-14,17,23-25,50H,5-6,8-9,11-12,15-16,18-21H2,2-3H3,(H,52,53)/t23-,24-,25+,39-,40+/m1/s1
Definition date:2025-04-02
Last modified:2025-07-18
Release date:2025-07-23
Identifier:(2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid

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数据于2025-12-03公开中

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