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UAJ
UAJ
表記:Chlorophacinone
組成式:C23 H15 Cl O3
SMILES:c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
InChi:InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
別名:2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
定義日:2020-05-06
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
UAV
UAV
表記:(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
組成式:C31 H48 O3
SMILES:c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O
InChi:InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1
定義日:2020-05-06
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
T4T
T4T
表記:2-tetradecylsulfanylethanoic acid
組成式:C16 H32 O2 S
SMILES:CCCCCCCCCCCCCCSCC(O)=O
InChi:InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
定義日:2018-07-10
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-tetradecylsulfanylethanoic acid
VZM
VZM
表記:N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
組成式:C11 H11 N3 O2 S
SMILES:N(c1cccs1)C(=O)Nc2cnc(cc2)OC
InChi:InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
定義日:2020-09-24
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
WGM
WGM
表記:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
組成式:C11 H15 F N2 O
SMILES:n1cccc(c1N2CC(O)C(C)(C2)C)F
InChi:InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
VZS
VZS
表記:N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
組成式:C11 H13 N5 O2
SMILES:N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
InChi:InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
定義日:2020-09-24
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
WGP
WGP
表記:N,N-dimethyl-N~2~-phenylglycinamide
組成式:C10 H14 N2 O
SMILES:N(CC(N(C)C)=O)c1ccccc1
InChi:InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N,N-dimethyl-N~2~-phenylglycinamide
WGS
WGS
表記:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
組成式:C11 H15 F N2 O
SMILES:N(c1c(F)cccn1)CC2CCOCC2
InChi:InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
WGV
WGV
表記:1-(3-phenylprop-2-yn-1-yl)piperidine
組成式:C14 H17 N
SMILES:c1ccccc1C#CCN2CCCCC2
InChi:InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-(3-phenylprop-2-yn-1-yl)piperidine
WGY
WGY
表記:N-(4-sulfamoylphenyl)propanamide
組成式:C9 H12 N2 O3 S
SMILES:NS(c1ccc(cc1)NC(=O)CC)(=O)=O
InChi:InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(4-sulfamoylphenyl)propanamide
WH1
WH1
表記:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
組成式:C15 H16 N2 O
SMILES:n1c(cccc1)CCN(C(=O)c2ccccc2)C
InChi:InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
RH8
RH8
表記:~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
組成式:C21 H21 F N8
SMILES:CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F
InChi:InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27)
定義日:2020-09-29
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
WH4
WH4
表記:N-(propan-2-yl)pyridin-3-amine
組成式:C8 H12 N2
SMILES:n1cc(ccc1)NC(C)C
InChi:InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(propan-2-yl)pyridin-3-amine
WH7
WH7
表記:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
組成式:C10 H13 Cl2 N O
SMILES:c1(c(cccc1Cl)Cl)CNCC(C)O
InChi:InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
WHD
WHD
表記:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
組成式:C15 H13 F N2
SMILES:N#Cc2ccc(CNCc1ccc(cc1)F)cc2
InChi:InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
WHG
WHG
表記:1-[(1,2-oxazol-3-yl)methyl]piperazine
組成式:C8 H13 N3 O
SMILES:N2CCN(Cc1ccon1)CC2
InChi:InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-[(1,2-oxazol-3-yl)methyl]piperazine
WHM
WHM
表記:2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
組成式:C10 H12 F N O2 S
SMILES:c2(CN1CCCS1(=O)=O)cccc(c2)F
InChi:InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
Q52
Q52
表記:~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
組成式:C23 H27 Cl N4 O
SMILES:COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1
InChi:InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3
定義日:2020-05-13
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
QKJ
QKJ
表記:3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
組成式:C18 H24 N4 O4
SMILES:c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N
InChi:InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22)
定義日:2019-11-06
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Q6K
Q6K
表記:~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
組成式:C28 H35 N7 O2
SMILES:CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
InChi:InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)
定義日:2020-05-25
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
RFT
RFT
表記:butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
組成式:C15 H24 N2 O3 S3
SMILES:C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
定義日:2020-05-13
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
C5F
C5F
表記:2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
組成式:C13 H14 Cl2 O3
SMILES:C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C
InChi:InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
定義日:2019-01-23
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
CD0
CD0
表記:2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
組成式:C21 H32 O2
SMILES:c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O
InChi:InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1
定義日:2018-05-09
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
E0O
E0O
表記:2-(4-chloranylphenoxy)-2-methyl-propanoic acid
組成式:C10 H11 Cl O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
定義日:2019-09-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-(4-chloranylphenoxy)-2-methyl-propanoic acid
EA6
EA6
表記:1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
組成式:C14 H19 Cl F N5 O2
SMILES:CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
定義日:2019-11-28
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

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