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M5E
M5E
表記:(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
組成式:C11 H15 N O
SMILES:O[CH]([CH]1CCCN1)c2ccccc2
InChi:InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
KY2
KY2
表記:1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
組成式:C17 H30 N10 O3
SMILES:NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C17H30N10O3/c18-3-1-5-26(6-2-4-22-17(20)21)7-10-12(28)13(29)16(30-10)27-9-25-11-14(19)23-8-24-15(11)27/h8-10,12-13,16,28-29H,1-7,18H2,(H2,19,23,24)(H4,20,21,22)/t10-,12-,13-,16-/m1/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
M5H
M5H
表記:3-imidazolidin-2-yl-2~{H}-indazole
組成式:C10 H12 N4
SMILES:C1CNC(N1)c2[nH]nc3ccccc23
InChi:InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-imidazolidin-2-yl-2~{H}-indazole
J9Q
J9Q
表記:2-(1,3-oxazol-5-yl)aniline
組成式:C9 H8 N2 O
SMILES:Nc1ccccc1c2ocnc2
InChi:InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2
定義日:2019-02-12
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:2-(1,3-oxazol-5-yl)aniline
KY5
KY5
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
組成式:C21 H31 N9 O3
SMILES:NCCCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:InChI=1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
KY8
KY8
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
組成式:C20 H30 N10 O3
SMILES:NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
M5N
M5N
表記:4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
組成式:C11 H16 N2 O
SMILES:CC(C)C1=NC(=O)N=C2CCCC[CH]12
InChi:InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
KYB
KYB
表記:1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
組成式:C19 H34 N10 O3
SMILES:NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C19H34N10O3/c20-5-4-8-28(7-3-1-2-6-24-19(22)23)9-12-14(30)15(31)18(32-12)29-11-27-13-16(21)25-10-26-17(13)29/h10-12,14-15,18,30-31H,1-9,20H2,(H2,21,25,26)(H4,22,23,24)/t12-,14-,15-,18-/m1/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
KYE
KYE
表記:(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
組成式:C20 H34 N10 O5
SMILES:N[CH](CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
KYH
KYH
表記:1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
組成式:C18 H32 N10 O3
SMILES:NCCCN(CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C18H32N10O3/c19-4-3-7-27(6-2-1-5-23-18(21)22)8-11-13(29)14(30)17(31-11)28-10-26-12-15(20)24-9-25-16(12)28/h9-11,13-14,17,29-30H,1-8,19H2,(H2,20,24,25)(H4,21,22,23)/t11-,13-,14-,17-/m1/s1
定義日:2019-07-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
MZK
MZK
表記:6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
組成式:C16 H12 F3 N O
SMILES:FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2
InChi:InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
定義日:2019-10-29
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
M6H
M6H
表記:2-(phenylmethyl)imidazolidine
組成式:C10 H14 N2
SMILES:C1CNC(Cc2ccccc2)N1
InChi:InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:2-(phenylmethyl)imidazolidine
M6N
M6N
表記:2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one
組成式:C8 H7 N3 O
SMILES:CC1=Nc2cnccc2C(=O)N1
InChi:InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one
JAW
JAW
表記:1~{H}-indole-5-carboxamide
組成式:C9 H8 N2 O
SMILES:NC(=O)c1ccc2[nH]ccc2c1
InChi:InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1~{H}-indole-5-carboxamide
M6W
M6W
表記:(3~{S})-~{N}-methylpyrrolidine-3-carboxamide
組成式:C6 H12 N2 O
SMILES:CNC(=O)[CH]1CCNC1
InChi:InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(3~{S})-~{N}-methylpyrrolidine-3-carboxamide
M6Z
M6Z
表記:5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
組成式:C9 H8 I N3 O
SMILES:CNC(=O)c1n[nH]c2ccc(I)cc12
InChi:InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
JBB
JBB
表記:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
組成式:C12 H10 O2 S2
SMILES:OC(=O)c1cccc(CSc2sccc2)c1
InChi:InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
M75
M75
表記:~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
組成式:C6 H9 N3 O2 S
SMILES:O=[S](=O)(NC1CC1)c2c[nH]cn2
InChi:InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
M78
M78
表記:~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
組成式:C12 H14 N2 O
SMILES:CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChi:InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
JBN
JBN
表記:1,2-oxazole-5-carboxamide
組成式:C4 H4 N2 O2
SMILES:NC(=O)c1oncc1
InChi:InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1,2-oxazole-5-carboxamide
NG8
NG8
表記:3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide
組成式:C16 H21 B F2 N3 O
SMILES:CCNC(=O)CCc1ccc2Cc3n(c(C)cc3C)[B-](F)(F)n12
InChi:InChI=1S/C16H21BF2N3O/c1-4-20-16(23)8-7-13-5-6-14-10-15-11(2)9-12(3)21(15)17(18,19)22(13)14/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)/q-1
定義日:2019-11-29
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide
YZM
YZM
表記:N-carbamoylbenzamide
組成式:C8 H8 N2 O2
SMILES:O=C(NC(=O)N)c1ccccc1
InChi:InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
定義日:2012-12-18
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:N-carbamoylbenzamide
NWQ
NWQ
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
組成式:C11 H14 N6 O4
SMILES:CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
NWW
NWW
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
組成式:C10 H12 N6 O4
SMILES:NC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
NWZ
NWZ
表記:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide
組成式:C15 H21 N7 O4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NC4CCNCC4
InChi:InChI=1S/C15H21N7O4/c16-12-8-13(19-5-18-12)22(6-20-8)15-10(24)9(23)11(26-15)14(25)21-7-1-3-17-4-2-7/h5-7,9-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1
定義日:2020-01-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide

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