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A1L7Q
A1L7Q
Name:1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
Formula:C27 H22 F3 N5 O2
SMILES:Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4
InChi:InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-
Definition date:2025-02-19
Last modified:2025-05-09
Release date:2025-05-14
Identifier:1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
A1L7R
A1L7R
Name:1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
Formula:C23 H18 Cl2 F3 N5 O2
SMILES:Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5
InChi:InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2
Definition date:2025-02-19
Last modified:2025-05-09
Release date:2025-05-14
Identifier:1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
A1L9C
A1L9C
Name:~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
Formula:C19 H21 N3 O7 S
SMILES:CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3
InChi:InChI=1S/C19H21N3O7S/c1-12(23)20-14-2-4-15(5-3-14)30(28,29)22-8-6-21(7-9-22)19(27)13-10-16(24)18(26)17(25)11-13/h2-5,10-11,24-26H,6-9H2,1H3,(H,20,23)
Definition date:2025-04-28
Last modified:2025-05-09
Release date:2025-05-14
Identifier:~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
A1A4E
A1A4E
Name:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:C32 H35 Cl N6 O3
SMILES:O=C(C=CCN(C)C)N1CCCC1(C)C#Cc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:InChI=1S/C32H35ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6+/t32-/m1/s1
Definition date:2024-08-30
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
A1AQY
A1AQY
Name:N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide
Formula:C18 H15 Cl2 F2 N5 O3 S
SMILES:O=S(=O)(Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2Cl)c1Cl)N1CC(F)C1
InChi:InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3
Definition date:2024-05-08
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-{2-chloro-3-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoroazetidine-1-sulfonamide
A1AR6
A1AR6
Name:(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide
Formula:C25 H40 F3 N5 O4
SMILES:O=C1NCCC1CC(CN)NC(=O)C1CC2(CCCCC2)CN1C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C25H40F3N5O4/c1-23(2,3)18(32-22(37)25(26,27)28)21(36)33-14-24(8-5-4-6-9-24)12-17(33)20(35)31-16(13-29)11-15-7-10-30-19(15)34/h15-18H,4-14,29H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t15-,16-,17-,18+/m0/s1
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide (non-preferred name)
A1AR7
A1AR7
Name:N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
Formula:C17 H17 Cl3 N2 O
SMILES:Clc1cc(cnc1)N(C(=O)C(Cl)Cl)c1ccc(cc1)C(C)(C)C
InChi:InChI=1S/C17H17Cl3N2O/c1-17(2,3)11-4-6-13(7-5-11)22(16(23)15(19)20)14-8-12(18)9-21-10-14/h4-10,15H,1-3H3
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
A1AR9
A1AR9
Name:N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Formula:C19 H13 Cl2 F N2 O
SMILES:Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1
InChi:InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
A1ARR
A1ARR
Name:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide
Formula:C39 H53 N5 O8
SMILES:CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)c1nc2ccccc2o1
InChi:InChI=1S/C39H53N5O8/c1-24(52-39(2,3)4)32(44-38(49)50-23-26-15-9-6-10-16-26)36(48)42-30(21-25-13-7-5-8-14-25)35(47)41-29(22-27-19-20-40-34(27)46)33(45)37-43-28-17-11-12-18-31(28)51-37/h6,9-12,15-18,24-25,27,29-30,32-33,45H,5,7-8,13-14,19-23H2,1-4H3,(H,40,46)(H,41,47)(H,42,48)(H,44,49)/t24-,27+,29-,30+,32?,33+/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide
A1ARU
A1ARU
Name:O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:C26 H42 F3 N5 O5
SMILES:FC(F)(F)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:InChI=1S/C26H42F3N5O5/c1-15(39-25(2,3)4)20(34-24(38)26(27,28)29)23(37)33-19(12-16-8-6-5-7-9-16)22(36)32-18(14-30)13-17-10-11-31-21(17)35/h14-20,30H,5-13H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/b30-14+/t15-,17+,18-,19+,20+/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
A1ARV
A1ARV
Name:(1H-indol-4-yl)methanol
Formula:C9 H9 N O S
SMILES:OC(S)c1cccc2[NH]ccc12
InChi:InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(R)-(1H-indol-4-yl)(sulfanyl)methanol
A1ARY
A1ARY
Name:(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
Formula:C19 H14 Cl2 N2 O2 S
SMILES:Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1
InChi:InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1
Definition date:2024-05-14
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
A1ASA
A1ASA
Name:(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C27 H31 F4 N5 O3
SMILES:CC1(C)C2C(C(=O)NC(C=N)c3cncc4cc(F)ccc43)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C27H31F4N5O3/c1-25(2,3)21(35-24(39)27(29,30)31)23(38)36-12-17-19(26(17,4)5)20(36)22(37)34-18(9-32)16-11-33-10-13-8-14(28)6-7-15(13)16/h6-11,17-21,32H,12H2,1-5H3,(H,34,37)(H,35,39)/b32-9+/t17-,18-,19-,20-,21+/m0/s1
Definition date:2024-05-15
Last modified:2025-05-09
Release date:2025-05-14
Identifier:(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
A1AT9
A1AT9
Name:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[2-(2-phenyl-1,3-dioxolan-2-yl)acetamido]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate
Formula:C32 H47 N8 O19 P3
SMILES:O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CC1(OCCO1)c1ccccc1)n1cnc2c(N)ncnc21
InChi:InChI=1S/C32H47N8O19P3/c1-31(2,26(44)29(45)36-9-8-21(41)34-10-11-35-22(42)14-32(53-12-13-54-32)19-6-4-3-5-7-19)16-56-62(51,52)59-61(49,50)55-15-20-25(58-60(46,47)48)24(43)30(57-20)40-18-39-23-27(33)37-17-38-28(23)40/h3-7,17-18,20,24-26,30,43-44H,8-16H2,1-2H3,(H,34,41)(H,35,42)(H,36,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/t20-,24-,25-,26+,30-/m1/s1
Definition date:2024-06-03
Last modified:2025-05-09
Release date:2025-05-14
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[2-(2-phenyl-1,3-dioxolan-2-yl)acetamido]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
A1AUA
A1AUA
Name:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate
Formula:C32 H47 N8 O18 P3
SMILES:O=C(CCCC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)c1ccccc1
InChi:InChI=1S/C32H47N8O18P3/c1-32(2,27(45)30(46)36-12-11-23(43)35-14-13-34-22(42)10-6-9-20(41)19-7-4-3-5-8-19)16-55-61(52,53)58-60(50,51)54-15-21-26(57-59(47,48)49)25(44)31(56-21)40-18-39-24-28(33)37-17-38-29(24)40/h3-5,7-8,17-18,21,25-27,31,44-45H,6,9-16H2,1-2H3,(H,34,42)(H,35,43)(H,36,46)(H,50,51)(H,52,53)(H2,33,37,38)(H2,47,48,49)/t21-,25-,26-,27+,31-/m1/s1
Definition date:2024-06-03
Last modified:2025-05-09
Release date:2025-05-14
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate (non-preferred name)
A1AUB
A1AUB
Name:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate
Formula:C33 H46 N9 O18 P3 S
SMILES:O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CSCc1cc(on1)c1ccccc1)n1cnc2c(N)ncnc21
InChi:InChI=1S/C33H46N9O18P3S/c1-33(2,28(46)31(47)37-9-8-23(43)35-10-11-36-24(44)15-64-14-20-12-21(58-41-20)19-6-4-3-5-7-19)16-56-63(53,54)60-62(51,52)55-13-22-27(59-61(48,49)50)26(45)32(57-22)42-18-40-25-29(34)38-17-39-30(25)42/h3-7,12,17-18,22,26-28,32,45-46H,8-11,13-16H2,1-2H3,(H,35,43)(H,36,44)(H,37,47)(H,51,52)(H,53,54)(H2,34,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1
Definition date:2024-06-03
Last modified:2025-05-09
Release date:2025-05-14
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate (non-preferred name)
M12
M12
Name:10-METHYLUNDECANOIC ACID
Formula:C12 H24 O2
SMILES:O=C(O)CCCCCCCCC(C)C
InChi:InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
Definition date:2010-07-29
Last modified:2025-05-08
Identifier:10-methylundecanoic acid
CGL
CGL
Name:CYSTINE-GLUTATHIONE
Formula:C13 H22 N4 O8 S2
SMILES:O=C(NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O)CCC(N)C(=O)O
InChi:InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1
Synonyms:(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)
Definition date:1999-07-08
Last modified:2025-05-05
Identifier:(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)
YGF
YGF
Name:(3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
Formula:C9 H16 N6 O3
SMILES:NC1=NC(CO)C2N=C(N)NC22N1CCC2(O)O
InChi:InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1
Definition date:2023-12-04
Last modified:2025-05-02
Release date:2025-05-07
Identifier:(3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
YGQ
YGQ
Name:[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:C10 H17 N7 O8 S
SMILES:NC(=O)OCC1N=C(N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(N)=NC13
InChi:InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9-/m0/s1
Definition date:2023-12-04
Last modified:2025-05-02
Release date:2025-05-07
Identifier:[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
YGU
YGU
Name:(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate
Formula:C9 H16 N6 O7 S
SMILES:O=S(=O)(O)OC1CN2C(N)=NC(CO)C3N=C(N)NC32C1(O)O
InChi:InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4+,5-,8-/m0/s1
Definition date:2023-12-04
Last modified:2025-05-02
Release date:2025-05-07
Identifier:(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate
YGZ
YGZ
Name:({[(3aS,4R,7S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
Formula:C10 H17 N7 O7 S
SMILES:O=S(=O)(O)NC(=O)OCC1N=C(N)N2CCC(O)(O)C32NC(N)=NC13
InChi:InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1
Definition date:2023-12-04
Last modified:2025-05-02
Release date:2025-05-07
Identifier:({[(3aS,4R,7S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
YH9
YH9
Name:({[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
Formula:C10 H17 N7 O11 S2
SMILES:O=S(=O)(O)NC(=O)OCC1N=C(N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(N)=NC13
InChi:InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4+,5-,9-/m0/s1
Definition date:2023-12-04
Last modified:2025-05-02
Release date:2025-05-07
Identifier:({[(3aS,4R,7R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
A1D9F
A1D9F
Name:~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide
Formula:C23 H28 F N O3 S2
SMILES:CSc1ccccc1c2ccc(C(=O)N(C)CC3(F)CCCCC3)c(c2)[S](C)(=O)=O
InChi:InChI=1S/C23H28FNO3S2/c1-25(16-23(24)13-7-4-8-14-23)22(26)19-12-11-17(15-21(19)30(3,27)28)18-9-5-6-10-20(18)29-2/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
Definition date:2024-06-20
Last modified:2025-05-02
Release date:2025-05-07
Identifier:~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide
A1EAA
A1EAA
Name:~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide
Formula:C29 H25 F N4 O4
SMILES:Cc1c(C)c(Oc2ccnc(NC(=O)C3CC3)c2)ccc1NC(=O)C4=CC=CN(C4=O)c5ccc(F)cc5
InChi:InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)
Synonyms:Ripk3-IN-1
Definition date:2024-07-30
Last modified:2025-05-02
Release date:2025-05-07
Identifier:~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide

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