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LV5
LV5
表記:3,4-Dichloroaniline
組成式:C6 H5 Cl2 N
SMILES:Nc1ccc(Cl)c(Cl)c1
InChi:InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
定義日:2019-09-13
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:3,4-bis(chloranyl)aniline
V0S
V0S
表記:3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
組成式:C28 H28 Cl N3 O S
SMILES:C5(CCC(N(C(c2c(c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)CC5)NC
InChi:InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-
定義日:2020-06-11
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
VKG
VKG
表記:N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide
組成式:C25 H24 F I N6 O5 S
SMILES:CNS(Nc1cccc(c1)N5C(N(C2CC2)C(C=3C5=C(C(=O)N(C=3Nc4ccc(I)cc4F)C)C)=O)=O)(=O)=O
InChi:InChI=1S/C25H24FIN6O5S/c1-13-21-20(22(31(3)23(13)34)29-19-10-7-14(27)11-18(19)26)24(35)33(16-8-9-16)25(36)32(21)17-6-4-5-15(12-17)30-39(37,38)28-2/h4-7,10-12,16,28-30H,8-9H2,1-3H3
定義日:2020-08-21
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide
B6O
B6O
表記:3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
組成式:C24 H16 F2 N4 O2
SMILES:CN(C)c1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:InChI=1S/C24H16F2N4O2/c1-29(2)14-7-5-6-13(10-14)20-18(25)11-15(12-19(20)26)30-22-21(27-28-30)23(31)16-8-3-4-9-17(16)24(22)32/h3-12H,1-2H3
定義日:2019-01-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
B6U
B6U
表記:3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
組成式:C23 H12 F3 N3 O3
SMILES:OCc1ccc(F)c(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:InChI=1S/C23H12F3N3O3/c24-16-6-5-11(10-30)7-15(16)19-17(25)8-12(9-18(19)26)29-21-20(27-28-29)22(31)13-3-1-2-4-14(13)23(21)32/h1-9,30H,10H2
定義日:2019-01-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
VVJ
VVJ
表記:N-cycloheptyl-N-methylmethanesulfonamide
組成式:C9 H19 N O2 S
SMILES:N(S(=O)(=O)C)(C1CCCCCC1)C
InChi:InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-cycloheptyl-N-methylmethanesulfonamide
VVM
VVM
表記:4-amino-N-phenylbenzene-1-sulfonamide
組成式:C12 H12 N2 O2 S
SMILES:Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
InChi:InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:4-amino-N-phenylbenzene-1-sulfonamide
VVP
VVP
表記:4-methoxy-1H-indole
組成式:C9 H9 N O
SMILES:n1ccc2c1cccc2OC
InChi:InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:4-methoxy-1H-indole
VVY
VVY
表記:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
組成式:C12 H15 N O2
SMILES:N1(CCCC1)C(=O)COc2ccccc2
InChi:InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
VW4
VW4
表記:(2S)-2-phenylpropane-1-sulfonamide
組成式:C9 H13 N O2 S
SMILES:NS(CC(c1ccccc1)C)(=O)=O
InChi:InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(2S)-2-phenylpropane-1-sulfonamide
VW7
VW7
表記:N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
組成式:C12 H16 N2 O
SMILES:N(c2ccc(C)c1NCCCc12)C(C)=O
InChi:InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
VWA
VWA
表記:(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
組成式:C9 H12 F N
SMILES:N(C)C(c1ccc(cc1)F)C
InChi:InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
VWD
VWD
表記:(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
組成式:C9 H12 O3 S
SMILES:c1(C(CS(C)(=O)=O)O)ccccc1
InChi:InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
VWG
VWG
表記:N-hydroxyquinoline-2-carboxamide
組成式:C10 H8 N2 O2
SMILES:N(O)C(=O)c1ccc2c(n1)cccc2
InChi:InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-hydroxyquinoline-2-carboxamide
VWJ
VWJ
表記:N-(propan-2-yl)-1H-benzimidazol-2-amine
組成式:C10 H13 N3
SMILES:N(c1nc2c(n1)cccc2)C(C)C
InChi:InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-(propan-2-yl)-1H-benzimidazol-2-amine
VWM
VWM
表記:(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
組成式:C8 H13 N O4
SMILES:N1(CCCC(O)(C1)C(=O)O)C(C)=O
InChi:InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
VWV
VWV
表記:ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
組成式:C8 H15 N O4 S
SMILES:N1(CC(OCC)=O)CCS(CC1)(=O)=O
InChi:InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
VWY
VWY
表記:N-ethyl-4-[(methylsulfonyl)amino]benzamide
組成式:C10 H14 N2 O3 S
SMILES:N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O
InChi:InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:N-ethyl-4-[(methylsulfonyl)amino]benzamide
VX4
VX4
表記:[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
組成式:C11 H16 N2 O S
SMILES:N2(C(c1cscn1)=O)CCC(C)CCC2
InChi:InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1
定義日:2020-09-17
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
VZ7
VZ7
表記:2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
組成式:C11 H13 Cl O3
SMILES:CC(C)(c1cccc(c1)Cl)COC(=O)O
InChi:InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
定義日:2020-09-23
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
PJB
PJB
表記:2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
組成式:C17 H16 N4 O4 S
SMILES:COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3ccccc3C(O)=O
InChi:InChI=1S/C17H16N4O4S/c1-25-11-6-7-14(22)13(8-11)15-19-20-17(26)21(15)18-9-10-4-2-3-5-12(10)16(23)24/h2-8,18,22H,9H2,1H3,(H,20,26)(H,23,24)
定義日:2020-04-21
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
PK4
PK4
表記:2-fluoro-N,3-dimethylbenzene-1-sulfonamide
組成式:C8 H10 F N O2 S
SMILES:CNS(c1c(c(C)ccc1)F)(=O)=O
InChi:InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
定義日:2019-08-12
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:2-fluoro-N,3-dimethylbenzene-1-sulfonamide
DZU
DZU
表記:8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
組成式:C33 H35 N5 O
SMILES:CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1
InChi:InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+
定義日:2019-09-26
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
E1L
E1L
表記:N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
組成式:C19 H16 F3 N3 O S
SMILES:FC(F)(F)Oc1ccc(NC(=S)N2CCc3c(C2)[nH]c4ccccc34)cc1
InChi:InChI=1S/C19H16F3N3OS/c20-19(21,22)26-13-7-5-12(6-8-13)23-18(27)25-10-9-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-8,24H,9-11H2,(H,23,27)
定義日:2019-10-01
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:~{N}-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
EGX
EGX
表記:1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
組成式:C22 H19 N3 O2
SMILES:O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5
InChi:InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
定義日:2019-12-20
最終更新日:2020-09-25
公開日:2020-09-30
識別子（ID）:1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

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