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T88
T88
表記:N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
組成式:C22 H30 Cl2 N2 O4 S
SMILES:c1(c(Cl)ccc(c1)CCN(CC(COc2ccc(cc2)NS(=O)(C)=O)O)CCCC)Cl
InChi:InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m1/s1
定義日:2018-07-30
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
AQ0
AQ0
表記:2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one
組成式:C19 H17 N3 O2
SMILES:c4c3c(c2OC(C1CCC(CC1)N=[N+]=[N-])=CC(=O)c2cc3)ccc4
InChi:InChI=1S/C19H17N3O2/c20-22-21-14-8-5-13(6-9-14)18-11-17(23)16-10-7-12-3-1-2-4-15(12)19(16)24-18/h1-4,7,10-11,13-14H,5-6,8-9H2/t13-,14+
定義日:2018-11-15
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one
DJ2
DJ2
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
組成式:C10 H14 N6 O4
SMILES:NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1
定義日:2018-01-17
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
DS8
DS8
表記:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
組成式:C13 H24 O7
SMILES:C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)C2)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1
定義日:2018-01-29
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
DSQ
DSQ
表記:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
組成式:C13 H24 O8
SMILES:C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C13H24O8/c1-5-10(16)13(19)12(18)7(20-5)2-6-3-9(15)21-8(4-14)11(6)17/h5-19H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12+,13+/m0/s1
定義日:2018-01-29
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
EN4
EN4
表記:[cyclopentyl(hydroxy)amino](oxo)acetic acid
組成式:C7 H11 N O4
SMILES:C(C(=O)N(C1CCCC1)O)(O)=O
InChi:InChI=1S/C7H11NO4/c9-6(7(10)11)8(12)5-3-1-2-4-5/h5,12H,1-4H2,(H,10,11)
定義日:2018-01-22
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):[cyclopentyl(hydroxy)amino](oxo)acetic acid
F5S
F5S
表記:(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one
組成式:C26 H27 N O7
SMILES:C2/C(C=CC=CC1C(O1)CC(OC(c3c(O)cc(cc23)O)=O)C)=NOCc4ccc(OC)cc4
InChi:InChI=1S/C26H27NO7/c1-16-11-24-23(34-24)6-4-3-5-19(27-32-15-17-7-9-21(31-2)10-8-17)12-18-13-20(28)14-22(29)25(18)26(30)33-16/h3-10,13-14,16,23-24,28-29H,11-12,15H2,1-2H3/b5-3+,6-4-,27-19-/t16-,23-,24-/m1/s1
定義日:2018-03-01
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one
F9E
F9E
表記:[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate
組成式:C14 H22 N6 O5
SMILES:CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C(=O)N=C(N)Nc12
InChi:InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8-,9-/m0/s1
定義日:2018-06-13
最終更新日:2019-01-25
公開日:2019-01-30
識別子(ID):[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate
FK2
FK2
表記:3-oxidanylidenepropanoic acid
組成式:C3 H4 O3
SMILES:OC(=O)CC=O
InChi:InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
定義日:2018-07-14
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):3-oxidanylidenepropanoic acid
H5H
H5H
表記:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
組成式:C22 H22 F4 N4 O4 S
SMILES:CNc1c(F)c(F)c(c(F)c1F)c2cn(nn2)[CH]3[CH](O)[CH](CO)O[CH](Sc4ccc(C)cc4)[CH]3O
InChi:InChI=1S/C22H22F4N4O4S/c1-9-3-5-10(6-4-9)35-22-21(33)19(20(32)12(8-31)34-22)30-7-11(28-29-30)13-14(23)16(25)18(27-2)17(26)15(13)24/h3-7,12,19-22,27,31-33H,8H2,1-2H3/t12-,19+,20+,21-,22+/m1/s1
定義日:2018-11-16
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
H5N
H5N
表記:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
組成式:C21 H18 F4 N6 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N=[N+]=[N-])c(F)c4F)cc1
InChi:InChI=1S/C21H18F4N6O4S/c1-8-2-4-9(5-3-8)36-21-20(34)18(19(33)11(7-32)35-21)31-6-10(27-30-31)12-13(22)15(24)17(28-29-26)16(25)14(12)23/h2-6,11,18-21,32-34H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1
定義日:2018-11-16
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
H5Q
H5Q
表記:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
組成式:C21 H20 F4 N4 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N)c(F)c4F)cc1
InChi:InChI=1S/C21H20F4N4O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7,26H2,1H3/t11-,18+,19+,20-,21+/m1/s1
定義日:2018-11-16
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
H5T
H5T
表記:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
組成式:C21 H19 F4 N3 O5 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(O)c(F)c4F)cc1
InChi:InChI=1S/C21H19F4N3O5S/c1-8-2-4-9(5-3-8)34-21-20(32)17(18(30)11(7-29)33-21)28-6-10(26-27-28)12-13(22)15(24)19(31)16(25)14(12)23/h2-6,11,17-18,20-21,29-32H,7H2,1H3/t11-,17+,18+,20-,21+/m1/s1
定義日:2018-11-16
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
H5Z
H5Z
表記:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
組成式:C21 H18 F5 N3 O4 S
SMILES:Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(F)c(F)c4F)cc1
InChi:InChI=1S/C21H18F5N3O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1
定義日:2018-11-16
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
H8W
H8W
表記:3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
組成式:C23 H27 N3 O2
SMILES:CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4
InChi:InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1
定義日:2018-11-27
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
H9Z
H9Z
表記:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
組成式:C29 H29 N7 O
SMILES:CN1CCC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
InChi:InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)/t21-/m0/s1
定義日:2018-12-03
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
HAK
HAK
表記:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
組成式:C27 H20 N8 O
SMILES:Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36
InChi:InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36)
定義日:2018-12-03
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
HAT
HAT
表記:3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
組成式:C28 H27 N7 O
SMILES:CN1CC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
InChi:InChI=1S/C28H27N7O/c1-34-11-7-20(17-34)33-28(36)22-5-8-29-16-25(22)32-21-14-23(27-24(15-21)30-9-10-31-27)19-4-3-18-6-12-35(2)26(18)13-19/h3-6,8-10,12-16,20,32H,7,11,17H2,1-2H3,(H,33,36)/t20-/m0/s1
定義日:2018-12-03
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
HAW
HAW
表記:2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
組成式:C28 H23 N7 O2 S
SMILES:Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36
InChi:InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3
定義日:2018-12-03
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
HFK
HFK
表記:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
組成式:C20 H22 N4 O2
SMILES:O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10H,1,4-6,8-9,11-12H2,(H2,21,22,23,24)
定義日:2018-12-05
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
HGE
HGE
表記:ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
組成式:C12 H17 N3 O2
SMILES:CCOC(=O)C1CCN(CC1)c2cnccn2
InChi:InChI=1S/C12H17N3O2/c1-2-17-12(16)10-3-7-15(8-4-10)11-9-13-5-6-14-11/h5-6,9-10H,2-4,7-8H2,1H3
定義日:2018-12-05
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
HR5
HR5
表記:~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
組成式:C11 H17 N3 O
SMILES:Cn1ncc(C(=O)NCC2CCC2)c1C
InChi:InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
定義日:2018-12-17
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
HR8
HR8
表記:5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
組成式:C12 H16 Cl N O2
SMILES:COc1ccc(Cl)cc1C(=O)NCC(C)C
InChi:InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
定義日:2018-12-17
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
KJS
KJS
表記:5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole
組成式:C29 H36 N4 O3
SMILES:c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)n4)CCN5CCOCC5)OCCC
InChi:InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
定義日:2018-12-19
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole
KKM
KKM
表記:7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
組成式:C16 H16 N4 O3
SMILES:c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=O)n3
InChi:InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1
定義日:2018-12-27
最終更新日:2019-01-18
公開日:2019-01-23
識別子(ID):7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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件を2025-07-09に公開中

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