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O9S
O9S
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
組成式:C17 H19 F N2 O4 S
SMILES:C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O
InChi:InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
O9V
O9V
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
組成式:C17 H19 F N2 O4 S
SMILES:C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O
InChi:InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
O9Y
O9Y
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
組成式:C16 H14 F N5 O3 S
SMILES:c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3
InChi:InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
定義日:2019-06-19
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
GN6
GN6
表記:5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
組成式:C12 H8 Cl2 N4
SMILES:n12nc(nc1cccc2c3cccc(c3Cl)Cl)N
InChi:InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
定義日:2019-10-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
KQ8
KQ8
表記:(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
組成式:C15 H26 N4 O7 S2
SMILES:C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O
InChi:InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11+/m1/s1
定義日:2019-06-14
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
QRY
QRY
表記:4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
組成式:C24 H23 N3 O3 S
SMILES:c1(ccc(S(N)(=O)=O)cc1)CCNC(c2ccccc2)C(c4cnc3ccccc34)=O
InChi:InChI=1S/C24H23N3O3S/c25-31(29,30)19-12-10-17(11-13-19)14-15-26-23(18-6-2-1-3-7-18)24(28)21-16-27-22-9-5-4-8-20(21)22/h1-13,16,23,26-27H,14-15H2,(H2,25,29,30)/t23-/m1/s1
定義日:2019-12-13
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
QS1
QS1
表記:(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
組成式:C27 H26 N6 O
SMILES:c1cc(C#N)ccc1C(CNC(c2ccccc2)C(Nc3ccc(cn3)c4cn(nc4)C)=O)C
InChi:InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1
定義日:2019-12-13
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
QS4
QS4
表記:1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one
組成式:C17 H22 N2 O
SMILES:C1CC(N(CC1)CC(c2c(C)nc3ccccc23)=O)C
InChi:InChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3/t12-/m1/s1
定義日:2019-12-13
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one
QSD
QSD
表記:(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
組成式:C26 H24 N6 O
SMILES:Cn1ncc(c1)c2cnc(cc2)NC(=O)C(c3ccccc3)NCCc4ccc(C#N)cc4
InChi:InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1
定義日:2019-12-16
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
S3O
S3O
表記:N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
組成式:C18 H21 N3 O
SMILES:C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C
InChi:InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
定義日:2019-10-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
N18
N18
表記:methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
組成式:C9 H11 N3 O5
SMILES:N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O
InChi:InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
定義日:2019-07-23
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
RU4
RU4
表記:4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
組成式:C11 H11 N3 O2 S
SMILES:N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
InChi:InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
定義日:2020-02-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
RUV
RUV
表記:4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
組成式:C11 H11 N5 O2
SMILES:N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2
InChi:InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)
定義日:2020-02-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
RUY
RUY
表記:4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
組成式:C7 H12 N4 O
SMILES:N2(c1nonc1N)CCCCC2
InChi:InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
定義日:2020-02-25
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
OJQ
OJQ
表記:[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
組成式:C11 H15 N3 O7 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc2O)c1O
InChi:InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)/p+1
定義日:2020-03-16
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
JMK
JMK
表記:2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
組成式:C20 H20 N4 S
SMILES:C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4
InChi:InChI=1S/C20H20N4S/c1-2-6-17-16(5-1)15(13-21-17)14-23-9-11-24(12-10-23)20-22-18-7-3-4-8-19(18)25-20/h1-8,13,21H,9-12,14H2
定義日:2019-03-12
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
JMN
JMN
表記:(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
組成式:C16 H21 N O2
SMILES:Cc1ccc(O[CH]2CCN(CC#C)C[CH]2O)cc1C
InChi:InChI=1S/C16H21NO2/c1-4-8-17-9-7-16(15(18)11-17)19-14-6-5-12(2)13(3)10-14/h1,5-6,10,15-16,18H,7-9,11H2,2-3H3/t15-,16-/m0/s1
定義日:2019-03-12
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
JMT
JMT
表記:3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
組成式:C20 H20 N4 O S
SMILES:Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1
InChi:InChI=1S/C20H20N4OS/c25-15-5-6-17-16(11-15)14(12-21-17)13-23-7-9-24(10-8-23)20-22-18-3-1-2-4-19(18)26-20/h1-6,11-12,21,25H,7-10,13H2
定義日:2019-03-12
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
JMW
JMW
表記:3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
組成式:C20 H19 Cl N4 O S
SMILES:Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccc(Cl)cc5n4)c2c1
InChi:InChI=1S/C20H19ClN4OS/c21-14-1-4-19-18(9-14)23-20(27-19)25-7-5-24(6-8-25)12-13-11-22-17-3-2-15(26)10-16(13)17/h1-4,9-11,22,26H,5-8,12H2
定義日:2019-03-12
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
JQ2
JQ2
表記:3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C34 H38 N4 O6
SMILES:CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5CC)C)c(C)c4CCC(O)=O)C(=C3CCN2C1=O)CCC(O)=O
InChi:InChI=1S/C34H38N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h14-16,35H,6-13H2,1-5H3,(H,37,43)(H,39,40)(H,41,42)/b26-14-,28-15-
定義日:2019-03-15
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
LN8
LN8
表記:Kiteplatin
組成式:C6 H14 Cl2 N2 Pt
SMILES:NC1CCC(N)CC1.Cl[Pt]Cl
InChi:InChI=1S/C6H14N2.2ClH.Pt/c7-5-1-2-6(8)4-3-5
定義日:2019-08-28
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:3,3-bis(chloranyl)-2,4-diazonia-3$l^{4}-platinabicyclo[3.2.2]nonane
LSY
LSY
表記:N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
組成式:C6 H14 N4 O2
SMILES:CN(C)C(NNC(=O)N(C)C)=O
InChi:InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12)
定義日:2019-03-13
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
LW5
LW5
表記:4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
組成式:C23 H27 F N2 O4
SMILES:C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC[CH](O)CC2)c3ccccc3
InChi:InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
定義日:2019-09-23
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
LWB
LWB
表記:4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
組成式:C30 H33 N5 O3
SMILES:COCc1nc2cnc3cc(c(OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c(C)onc6C
InChi:InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1
定義日:2019-09-23
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
N5H
N5H
表記:(2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid
組成式:C30 H48 N2 O7
SMILES:C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O
InChi:InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1
定義日:2019-11-12
最終更新日:2020-03-27
公開日:2020-04-01
識別子（ID）:(2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid

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