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PWL
PWL
表記:6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
組成式:C7 H6 Br N3
SMILES:Brc1cc2[NH]ccc2nc1N
InChi:InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11)
定義日:2022-05-31
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
PWX
PWX
表記:7-chloro-1-methyl-1H-benzimidazol-2-amine
組成式:C8 H8 Cl N3
SMILES:Clc1cccc2nc(N)n(C)c12
InChi:InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
定義日:2022-05-31
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:7-chloro-1-methyl-1H-benzimidazol-2-amine
7IV
7IV
表記:~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide
組成式:C15 H14 Cl N O2
SMILES:Clc1ccc(NC(=O)COCc2ccccc2)cc1
InChi:InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
定義日:2021-10-07
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide
7IY
7IY
表記:~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
組成式:C9 H11 Cl N2 O2
SMILES:COCC(=O)Nc1ccc(Cl)c(N)c1
InChi:InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13)
定義日:2021-10-07
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
AU0
AU0
表記:Caylin-1
組成式:C30 H28 Cl4 N4 O4
SMILES:COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)c(Cl)c4)c5ccc(Cl)c(Cl)c5
InChi:InChI=1S/C30H28Cl4N4O4/c1-16(2)42-25-14-19(41-3)6-7-20(25)29-36-27(17-4-8-21(31)23(33)12-17)28(18-5-9-22(32)24(34)13-18)38(29)30(40)37-11-10-35-26(39)15-37/h4-9,12-14,16,27-28H,10-11,15H2,1-3H3,(H,35,39)/t27-,28+/m0/s1
別名:4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
定義日:2021-12-01
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
86G
86G
表記:2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
組成式:C19 H19 N3 O2
SMILES:COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1
InChi:InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
定義日:2021-09-08
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
86K
86K
表記:2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
組成式:C21 H22 N4 O
SMILES:O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12
InChi:InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23)
定義日:2021-09-08
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
86Z
86Z
表記:pyridin-2-ylboronic acid
組成式:C5 H6 B N O2
SMILES:OB(O)c1ccccn1
InChi:InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
別名:2-Pyridineboronic acid
定義日:2021-10-04
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:pyridin-2-ylboronic acid
87A
87A
表記:N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide
組成式:C49 H58 F N9 O7 S
SMILES:FC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1OCCOc1ccc(CN2CCN(CC2)c2cc(nnc2N)c2ccccc2O)cc1)c1scnc1C)C(C)(C)C
InChi:InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1
別名:ACBi1
定義日:2021-09-09
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide
8AI
8AI
表記:2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine
組成式:C18 H19 F N2
SMILES:Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1
InChi:InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2
定義日:2021-12-01
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine
8AT
8AT
表記:1,2-dimethylquinolin-4-imine
組成式:C11 H12 N2
SMILES:CN1C(=CC(=N)c2ccccc12)C
InChi:InChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+
定義日:2021-12-01
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:1,2-dimethylquinolin-4-imine
NUU
NUU
表記:1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
組成式:C17 H19 N3 O S
SMILES:CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1
InChi:InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3
定義日:2022-04-08
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
NV3
NV3
表記:1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
組成式:C18 H17 Cl N2 O S
SMILES:CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn1
InChi:InChI=1S/C18H17ClN2OS/c1-18(2,3)15(22)10-23-17-20-9-12-5-4-11-6-7-13(19)8-14(11)16(12)21-17/h4-9H,10H2,1-3H3
定義日:2022-04-11
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
NVF
NVF
表記:1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
組成式:C16 H18 N2 O S2
SMILES:CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1
InChi:InChI=1S/C16H18N2OS2/c1-16(2,3)13(19)9-21-15-17-8-10-4-5-12-11(6-7-20-12)14(10)18-15/h6-8H,4-5,9H2,1-3H3
定義日:2022-04-11
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
8KF
8KF
表記:2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
組成式:C20 H13 F3 N2 O2
SMILES:FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O
InChi:InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27)
定義日:2021-09-22
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
8KQ
8KQ
表記:2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
組成式:C20 H17 F3 N2 O2
SMILES:FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O
InChi:InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1
定義日:2021-09-22
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
9A9
9A9
表記:N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide
組成式:C14 H21 N3 O3
SMILES:O=C(NCCN(C)CCCC(=O)NO)c1ccccc1
InChi:InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18)
定義日:2021-10-06
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide
9BI
9BI
表記:4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide
組成式:C14 H21 N3 O3
SMILES:O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO
InChi:InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19)
定義日:2021-10-06
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide
1IX
1IX
表記:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
組成式:C24 H21 Cl F N5 O3
SMILES:COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5
InChi:InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
別名:Nedisertib
定義日:2021-06-11
最終更新日:2022-09-28
公開日:2022-01-12
識別子（ID）:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
72Q
72Q
表記:3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
組成式:C17 H12 F3 N O4 S
SMILES:N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O
InChi:InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
別名:Belzutifan
定義日:2016-08-17
最終更新日:2022-09-28
公開日:2016-08-31
識別子（ID）:3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
94M
94M
表記:6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
組成式:C14 H15 Cl N6 O
SMILES:Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N
InChi:InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
別名:BIIB021
定義日:2010-07-30
最終更新日:2022-09-28
識別子（ID）:6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
7LD
7LD
表記:(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
組成式:C20 H25 N3 O
SMILES:n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C
InChi:InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
別名:Lysergic acid diethylamide
定義日:2016-11-10
最終更新日:2022-09-27
公開日:2017-02-01
識別子（ID）:(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
92S
92S
表記:1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
組成式:C24 H28 F N3 O
SMILES:CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25
InChi:InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
別名:lumateperone
定義日:2022-01-01
最終更新日:2022-09-27
公開日:2022-01-26
識別子（ID）:1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
IMH
IMH
表記:1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL
組成式:C11 H14 N4 O4
SMILES:OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
InChi:InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
別名:Forodesine
定義日:1999-07-08
最終更新日:2022-09-26
識別子（ID）:7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
WIR
WIR
表記:(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol
組成式:C22 H26 N8 O
SMILES:CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC1c2ccccc2CC1O
InChi:InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1
定義日:2022-09-13
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol

236963

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