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UXW
UXW
Name:4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:C32 H42 N8 O
SMILES:CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3
InChi:InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36)
Definition date:2021-03-26
Last modified:2021-08-27
Release date:2021-09-01
Identifier:4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
UYN
UYN
Name:[[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
Formula:C12 H21 N9
SMILES:CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+]
InChi:InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+
Synonyms:BEV241
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:[[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
UYQ
UYQ
Name:[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
Formula:C10 H16 N8
SMILES:NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+]
InChi:InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:[[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
UYT
UYT
Name:[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
Formula:C9 H13 N4
SMILES:CC(=NNC(N)=[NH2+])c1ccccc1
InChi:InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+
Synonyms:Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:[azanyl-[(2~{E})-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
UYW
UYW
Name:[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
Formula:C15 H16 Cl N4 O
SMILES:NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2
InChi:InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:[azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
UZ5
UZ5
Name:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:C27 H37 F2 N7 O
SMILES:CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(C)CC5)cc4F
InChi:InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32)
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
UZE
UZE
Name:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:C27 H38 F N7 O
SMILES:CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4F
InChi:InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-22(21(28)14-20)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
UZH
UZH
Name:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:C27 H38 F N7 O
SMILES:CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c(F)c4
InChi:InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-21(14-22(20)28)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)
Definition date:2021-03-30
Last modified:2021-08-27
Release date:2021-09-01
Identifier:4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
W8M
W8M
Name:2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
Formula:C27 H22 Cl2 N2 O3
SMILES:c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4
InChi:InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31)
Definition date:2020-09-29
Last modified:2021-08-27
Release date:2021-09-01
Identifier:2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
4IT
4IT
Name:N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:C23 H31 N5 O4
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N
InChi:InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1
Definition date:2021-07-09
Last modified:2021-08-27
Release date:2021-09-01
Identifier:N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
4LY
4LY
Name:[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
Formula:C28 H29 F2 N9 O2 S
SMILES:O=S(=O)(CC)N1CC(C1)(CC#N)n1ncc(c1)c1nc(Nc2cc(F)c(C3=CCN(C)CC3)c(F)c2)nc2[NH]ccc21
InChi:InChI=1S/C28H29F2N9O2S/c1-3-42(40,41)38-16-28(17-38,7-8-31)39-15-19(14-33-39)25-21-4-9-32-26(21)36-27(35-25)34-20-12-22(29)24(23(30)13-20)18-5-10-37(2)11-6-18/h4-5,9,12-15H,3,6-7,10-11,16-17H2,1-2H3,(H2,32,34,35,36)
Definition date:2021-07-13
Last modified:2021-08-27
Release date:2021-09-01
Identifier:[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
XSS
XSS
Name:1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C37 H44 F6 N6 O9 S
SMILES:C46C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC(C)(C)C(F)(F)F)=O)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6
InChi:InChI=1S/C37H44F6N6O9S/c1-33(2,37(41,42)43)58-32(53)46-24-11-9-7-5-6-8-10-20-18-35(20,31(52)48-59(54,55)34(3)14-15-34)47-28(50)26-17-22(19-49(26)30(24)51)57-29-27(36(38,39)40)44-25-16-21(56-4)12-13-23(25)45-29/h8,10,12-13,16,20,22,24,26H,5-7,9,11,14-15,17-19H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b10-8-/t20-,22-,24+,26+,35-/m1/s1
Synonyms:NR01-129
Definition date:2021-01-11
Last modified:2021-08-27
Release date:2021-09-01
Identifier:1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
XSV
XSV
Name:1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C38 H44 F6 N6 O9 S
SMILES:C47C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5(CCC5)C(F)(F)F)=O)=O)(C(NS(C6(CC6)C)(=O)=O)=O)C7
InChi:InChI=1S/C38H44F6N6O9S/c1-34(15-16-34)60(55,56)49-32(53)36-19-21(36)9-6-4-3-5-7-10-25(47-33(54)59-35(13-8-14-35)38(42,43)44)31(52)50-20-23(18-27(50)29(51)48-36)58-30-28(37(39,40)41)45-26-17-22(57-2)11-12-24(26)46-30/h6,9,11-12,17,21,23,25,27H,3-5,7-8,10,13-16,18-20H2,1-2H3,(H,47,54)(H,48,51)(H,49,53)/b9-6-/t21-,23-,25+,27+,36-/m1/s1
Synonyms:NR02-59
Definition date:2021-01-12
Last modified:2021-08-27
Release date:2021-09-01
Identifier:1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
XSY
XSY
Name:(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C39 H47 F3 N6 O9 S
SMILES:C48C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5CC6C(C5)C6)=O)=O)(C(NS(C7(CC7)C)(=O)=O)=O)C8
InChi:InChI=1S/C39H47F3N6O9S/c1-37(12-13-37)58(53,54)47-35(51)38-19-23(38)8-6-4-3-5-7-9-28(45-36(52)57-25-15-21-14-22(21)16-25)34(50)48-20-26(18-30(48)32(49)46-38)56-33-31(39(40,41)42)43-29-17-24(55-2)10-11-27(29)44-33/h6,8,10-11,17,21-23,25-26,28,30H,3-5,7,9,12-16,18-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t21-,22+,23-,25+,26-,28+,30+,38-/m1/s1
Definition date:2021-01-12
Last modified:2021-08-27
Release date:2021-09-01
Identifier:(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
XT4
XT4
Name:tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:C37 H47 F3 N6 O9 S
SMILES:C15CC1(NC(C4CC(Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)CN4C(C(NC(OC(C)(C)C)=O)CCCCCC=C5)=O)=O)C(NS(C6(C)CC6)(=O)=O)=O
InChi:InChI=1S/C37H47F3N6O9S/c1-34(2,3)55-33(50)43-25-12-10-8-6-7-9-11-21-19-36(21,32(49)45-56(51,52)35(4)15-16-35)44-29(47)27-18-23(20-46(27)31(25)48)54-30-28(37(38,39)40)41-26-17-22(53-5)13-14-24(26)42-30/h9,11,13-14,17,21,23,25,27H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t21-,23-,25+,27+,36-/m1/s1
Definition date:2021-01-12
Last modified:2021-08-27
Release date:2021-09-01
Identifier:tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
XY7
XY7
Name:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
Formula:C9 H12 F N2 O7 P
SMILES:C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O
InChi:InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1
Definition date:2021-01-19
Last modified:2021-08-27
Release date:2021-09-01
Identifier:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
PA1
PA1
Name:2-amino-2-deoxy-alpha-D-glucopyranose
Formula:C6 H13 N O5
SMILES:OC1C(O)C(OC(O)C1N)CO
InChi:InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:alpah-D-glucosamine
Definition date:1999-07-08
Last modified:2021-08-24
Identifier:2-amino-2-deoxy-alpha-D-glucopyranose
A4W
A4W
Name:~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
Formula:C9 H9 Cl F N O S
SMILES:Fc1c(Cl)cccc1NC(=O)CCS
InChi:InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13)
Definition date:2017-08-16
Last modified:2021-08-23
Release date:2017-11-01
Identifier:~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
NLW
NLW
Name:L-leucinamide
Formula:C6 H14 N2 O
SMILES:CC(CC(C(N)=O)N)C
InChi:InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1
Definition date:2016-03-22
Last modified:2021-08-21
Release date:2016-08-03
Identifier:L-leucinamide
ZOA
ZOA
Name:ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
Formula:C18 H20 N6 O4 S2
SMILES:NS(=O)(=O)c1ccc(cc1)CNC(=S)Nc1cnn2c(C)c(cnc12)C(=O)OCC
InChi:InChI=1S/C18H20N6O4S2/c1-3-28-17(25)14-9-20-16-15(10-22-24(16)11(14)2)23-18(29)21-8-12-4-6-13(7-5-12)30(19,26)27/h4-7,9-10H,3,8H2,1-2H3,(H2,19,26,27)(H2,21,23,29)
Definition date:2021-05-14
Last modified:2021-08-20
Release date:2021-08-25
Identifier:ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
Y7S
Y7S
Name:(1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid
Formula:C15 H21 N2 O7 P
SMILES:Oc1c(CNC2=CC(CC2C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C15H21N2O7P/c1-8-3-10(15(19)20)4-13(8)17-6-12-11(7-24-25(21,22)23)5-16-9(2)14(12)18/h4-5,8,10,17-18H,3,6-7H2,1-2H3,(H,19,20)(H2,21,22,23)/t8-,10+/m0/s1
Definition date:2021-02-09
Last modified:2021-08-20
Release date:2021-08-25
Identifier:(1R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclopent-2-ene-1-carboxylic acid
Y8P
Y8P
Name:(3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
Formula:C16 H25 N2 O7 P
SMILES:Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11?,14+/m0/s1
Definition date:2021-02-10
Last modified:2021-08-20
Release date:2021-08-25
Identifier:(1R,3R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
YBS
YBS
Name:[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
Formula:C23 H23 N3 O2
SMILES:OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4
InChi:InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
Definition date:2021-02-17
Last modified:2021-08-20
Release date:2021-08-25
Identifier:[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
YSS
YSS
Name:15R-methyl-prostaglandin D2
Formula:C21 H34 O5
SMILES:OC1CC(=O)C(/C=C/C(C)(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1
Synonyms:(5Z,13E,15R,16E)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13,16-trien-1-oic acid
Definition date:2021-03-31
Last modified:2021-08-20
Release date:2021-08-25
Identifier:(5Z,13E,15R)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13-dien-1-oic acid
YCD
YCD
Name:(4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
Formula:C16 H18 F N2 O7 P
SMILES:Oc1c(CNc2cc(ccc2CF)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C16H18FN2O7P/c1-9-15(20)13(12(6-18-9)8-26-27(23,24)25)7-19-14-4-10(16(21)22)2-3-11(14)5-17/h2-4,6,19-20H,5,7-8H2,1H3,(H,21,22)(H2,23,24,25)
Definition date:2021-02-17
Last modified:2021-08-20
Release date:2021-08-25
Identifier:4-(fluoromethyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid

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PDB entries from 2024-09-18

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