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T9Z
T9Z
表記:2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
組成式:C15 H18 N O2
SMILES:Oc1c(C[NH+]2CCOCC2)ccc3ccccc13
InChi:InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1
定義日:2020-12-20
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
TAH
TAH
表記:2-(benzyloxy)benzohydrazide
組成式:C14 H14 N2 O2
SMILES:NNC(=O)c1ccccc1OCc2ccccc2
InChi:InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
別名:2-phenylmethoxybenzohydrazide
定義日:2020-12-20
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:2-phenylmethoxybenzohydrazide
TB5
TB5
表記:4-(4-pyrrol-1-ylphenyl)morpholine
組成式:C14 H16 N2 O
SMILES:C1CN(CCO1)c2ccc(cc2)n3cccc3
InChi:InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
別名:4-[4-(1H-pyrrol-1-yl)phenyl]morpholine
定義日:2020-12-20
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:4-(4-pyrrol-1-ylphenyl)morpholine
TEH
TEH
表記:4-(2-phenoxyethanoyl)piperazin-2-one
組成式:C12 H14 N2 O3
SMILES:O=C1CN(CCN1)C(=O)COc2ccccc2
InChi:InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
定義日:2020-12-21
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:4-(2-phenoxyethanoyl)piperazin-2-one
TEK
TEK
表記:~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
組成式:C11 H13 N3 O
SMILES:CCn1c(NC(C)=O)nc2ccccc12
InChi:InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
定義日:2020-12-21
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
TEZ
TEZ
表記:N-(2,1,3-Benzothiadiazol-5-yl)acetamide
組成式:C8 H7 N3 O S
SMILES:CC(=O)Nc1ccc2nsnc2c1
InChi:InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
別名:~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
定義日:2020-12-21
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
TKE
TKE
表記:1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
組成式:C15 H16 I N3 O2 S2
SMILES:N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1
InChi:InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
定義日:2021-01-04
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
TKQ
TKQ
表記:1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
組成式:C15 H16 I N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1
InChi:InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
定義日:2021-01-07
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
2JI
2JI
表記:(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid
組成式:C13 H15 N O2
SMILES:O=C(O)Cc1c2cc(ccc2[NH]c1C)CC
InChi:InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16)
定義日:2021-06-30
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid
2LZ
2LZ
表記:(5-fluoro-1H-indol-3-yl)acetic acid
組成式:C10 H8 F N O2
SMILES:O=C(O)Cc1c[NH]c2ccc(F)cc21
InChi:InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
定義日:2021-06-30
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(5-fluoro-1H-indol-3-yl)acetic acid
9S5
9S5
表記:(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
組成式:C19 H24 N6 O2
SMILES:CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
InChi:InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1
定義日:2021-10-26
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
9SS
9SS
表記:(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
組成式:C18 H19 N7 O
SMILES:O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)N1CCCC(C#N)C1
InChi:InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1
定義日:2021-10-26
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
9TC
9TC
表記:(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
組成式:C18 H22 N6 O2
SMILES:O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
InChi:InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
定義日:2021-10-26
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
GX3
GX3
表記:6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
組成式:C26 H30 Cl2 N6 O4
SMILES:CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl
InChi:InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
別名:PRN1371
定義日:2020-09-30
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
HJ0
HJ0
表記:4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
組成式:C15 H17 N7 O
SMILES:Cc1[nH]nc(NC(=O)c2cn(c3ncnc(N)c23)C4(C)CC4)c1
InChi:InChI=1S/C15H17N7O/c1-8-5-10(21-20-8)19-14(23)9-6-22(15(2)3-4-15)13-11(9)12(16)17-7-18-13/h5-7H,3-4H2,1-2H3,(H2,16,17,18)(H2,19,20,21,23)
定義日:2021-01-13
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
HJR
HJR
表記:N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
組成式:C20 H37 F3 N4 O8 S
SMILES:CN[CH]1C[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3CCC[CH](CN)O3)[CH](N)C[CH]2N[S](=O)(=O)C(F)(F)F
InChi:InChI=1S/C20H37F3N4O8S/c1-19(29)9-32-15(7-13(19)26-2)35-18-12(27-36(30,31)20(21,22)23)6-11(25)17(16(18)28)34-14-5-3-4-10(8-24)33-14/h10-18,26-29H,3-9,24-25H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18+,19-/m0/s1
定義日:2021-01-15
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},6~{S})-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2~{R},4~{S},5~{R})-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
HKO
HKO
表記:N-[(1R,2R,3R,4S,5R)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3S,4S,5S,6R)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
組成式:C24 H40 N6 O9 S
SMILES:CN[CH]1[CH](O)[CH](O[CH]2C[C]12O)O[CH]3[CH](C[CH](N)[CH](O[CH]4O[CH](CN)CC[CH]4N)[CH]3O)N[S](=O)(=O)c5cccnc5
InChi:InChI=1S/C24H40N6O9S/c1-28-21-18(32)23(37-16-8-24(16,21)33)39-20-15(30-40(34,35)12-3-2-6-29-10-12)7-14(27)19(17(20)31)38-22-13(26)5-4-11(9-25)36-22/h2-3,6,10-11,13-23,28,30-33H,4-5,7-9,25-27H2,1H3/t11-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22+,23+,24-/m0/s1
定義日:2021-01-15
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3~{S},4~{S},5~{S},6~{R})-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
H9C
H9C
表記:Bis(1,10-phenanthroline)platinum(II)
組成式:C24 H16 N4 Pt
SMILES:[Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56
InChi:InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
定義日:2020-12-01
最終更新日:2022-01-07
公開日:2022-01-12
BVI
BVI
表記:8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine
組成式:C20 H23 N5 O
SMILES:Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CCOCC1
InChi:InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24)
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine
BWI
BWI
表記:1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
組成式:C21 H22 N6 O
SMILES:N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C
InChi:InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26)
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
BXI
BXI
表記:1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
組成式:C23 H28 Cl2 N6 O2
SMILES:CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl
InChi:InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29)
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
BYL
BYL
表記:(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
組成式:C25 H29 Cl F2 N6 O2
SMILES:OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl
InChi:InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
8NF
8NF
表記:5-amino-2,4-dimethylpyridine
組成式:C7 H10 N2
SMILES:Cc1cc(C)c(N)cn1
InChi:InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3
定義日:2021-12-21
最終更新日:2021-12-31
公開日:2022-01-05
識別子（ID）:4,6-dimethylpyridin-3-amine
2TR
2TR
表記:6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide
組成式:C20 H22 Cl F N4 O2
SMILES:CN(C)C(=O)c1c(N)ccc(c1F)c1cnc2NCC3(CCC(O)C3)c2c1Cl
InChi:InChI=1S/C20H22ClFN4O2/c1-26(2)19(28)14-13(23)4-3-11(17(14)22)12-8-24-18-15(16(12)21)20(9-25-18)6-5-10(27)7-20/h3-4,8,10,27H,5-7,9,23H2,1-2H3,(H,24,25)/t10-,20-/m1/s1
定義日:2021-06-30
最終更新日:2021-12-31
公開日:2022-01-05
識別子（ID）:6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide
2WI
2WI
表記:6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
組成式:C19 H19 F N4 O
SMILES:CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F
InChi:InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3
定義日:2021-06-30
最終更新日:2021-12-31
公開日:2022-01-05
識別子（ID）:6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide

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