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N9W
N9W
表記:4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
組成式:C20 H21 N3 O2
SMILES:CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1
InChi:InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
定義日:2019-11-21
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
OSZ
OSZ
表記:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
組成式:C32 H41 N7 O3
SMILES:Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N4CCNCC4)c5ccccc5
InChi:InChI=1S/C32H41N7O3/c33-29-27(22-36-39(29)26-9-5-2-6-10-26)31(41)35-21-24-11-14-25(15-12-24)30(40)37-28(16-13-23-7-3-1-4-8-23)32(42)38-19-17-34-18-20-38/h2,5-6,9-12,14-15,22-23,28,34H,1,3-4,7-8,13,16-21,33H2,(H,35,41)(H,37,40)/t28-/m0/s1
定義日:2020-04-03
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
OUQ
OUQ
表記:(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
組成式:C12 H16 F N O
SMILES:CC1(C)CO[CH](CN1)c2cccc(F)c2
InChi:InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
OUZ
OUZ
表記:~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
組成式:C15 H24 N2 O
SMILES:CCNCCN1C[CH](OC[CH]1C)c2ccccc2
InChi:InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
OWZ
OWZ
表記:(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
組成式:C11 H14 Cl N O
SMILES:C[CH]1CO[CH](CN1)c2ccccc2Cl
InChi:InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
OXB
OXB
表記:3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
組成式:C16 H26 N2 O3 S
SMILES:C[CH]1CO[CH](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C
InChi:InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1
定義日:2020-04-07
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
P0B
P0B
表記:6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
組成式:C13 H13 Cl F N3 O2
SMILES:CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl
InChi:InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20)
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
P0K
P0K
表記:6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
組成式:C11 H13 N3 O3
SMILES:CN(CC1=NC(=O)NC(=O)C1)Cc2occc2
InChi:InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16)
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
P0N
P0N
表記:(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
組成式:C12 H16 Cl N O
SMILES:CC1(C)CO[CH](CN1)c2ccccc2Cl
InChi:InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-5-3-4-6-10(9)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
P0Q
P0Q
表記:(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
組成式:C13 H18 Cl N O
SMILES:C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2
InChi:InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
P0W
P0W
表記:6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
組成式:C16 H17 N5 O2
SMILES:CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
InChi:InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
P0Z
P0Z
表記:3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
組成式:C17 H25 N3 O3
SMILES:CNC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2
InChi:InChI=1S/C17H25N3O3/c1-17(2)12-23-14(13-7-5-4-6-8-13)11-20(17)10-9-15(21)19-16(22)18-3/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21,22)/t14-/m0/s1
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
P1Q
P1Q
表記:1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
組成式:C15 H22 Cl N O3
SMILES:COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2
InChi:InChI=1S/C15H22ClNO3/c1-11-9-20-15(12-4-3-5-13(16)6-12)8-17(11)7-14(18)10-19-2/h3-6,11,14-15,18H,7-10H2,1-2H3/t11-,14?,15-/m0/s1
定義日:2020-04-14
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
F1R
F1R
表記:N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
組成式:C21 H23 Cl N8 O
SMILES:COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1
InChi:InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)
定義日:2020-03-12
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
F7F
F7F
表記:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
組成式:C17 H21 N4 O10 P
SMILES:Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C
InChi:InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1
定義日:2020-04-06
最終更新日:2020-07-10
公開日:2020-07-15
QD2
QD2
表記:4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
組成式:C22 H29 N5 O5 S
SMILES:CN[S](=O)(=O)c1cc(cnc1OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4
InChi:InChI=1S/C22H29N5O5S/c1-23-33(29,30)20-13-17(14-24-22(20)31-3)27-10-11-32-19-5-4-15(12-18(19)27)21(28)25-16-6-8-26(2)9-7-16/h4-5,12-14,16,23H,6-11H2,1-3H3,(H,25,28)
定義日:2020-06-08
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
QGM
QGM
表記:(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
組成式:C17 H15 Cl2 N3 O3
SMILES:N1c3c(C(CC1C(O)=O)NC(Nc2ccccc2)=O)c(cc(c3)Cl)Cl
InChi:InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m0/s1
定義日:2019-10-29
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
QGP
QGP
表記:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
組成式:C16 H16 Cl2 N O6 P
SMILES:c2(c(CP(O)(=O)O)cc(c1c(cc(Cl)cc1)Cl)cc2CC(N)C(O)=O)O
InChi:InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
定義日:2019-10-29
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid (non-preferred name)
QLQ
QLQ
表記:~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
組成式:C40 H49 N11 O5
SMILES:Cc1cc(C[CH](NC(=O)N2CCC3(CC2)OC(=O)Nc4ncccc34)C(=O)N[CH](CC5CCNCC5)C(=O)N6CCN(CC6)c7ccncc7)cc8c[nH]nc18
InChi:InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1
定義日:2020-06-24
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
QWY
QWY
表記:3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
組成式:C21 H19 N5 O S2
SMILES:c1ccccc1c2sc(nn2)NC(=O)c5sc3c(cc4c(n3)CCCCC4)c5N
InChi:InChI=1S/C21H19N5OS2/c22-16-14-11-13-9-5-2-6-10-15(13)23-20(14)28-17(16)18(27)24-21-26-25-19(29-21)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,22H2,(H,24,26,27)
定義日:2020-01-09
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
RK4
RK4
表記:3-[(piperidin-1-yl)methyl]benzoic acid
組成式:C13 H17 N O2
SMILES:C1CCN(CC1)Cc2cccc(C(=O)O)c2
InChi:InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-[(piperidin-1-yl)methyl]benzoic acid
RKV
RKV
表記:3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
組成式:C9 H8 N2 O3
SMILES:c1c(n(nc1c2ccco2)C)C(O)=O
InChi:InChI=1S/C9H8N2O3/c1-11-7(9(12)13)5-6(10-11)8-3-2-4-14-8/h2-5H,1H3,(H,12,13)
定義日:2020-02-13
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
RPJ
RPJ
表記:1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
組成式:C21 H18 F N3 O3
SMILES:c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)ccc4F
InChi:InChI=1S/C21H18FN3O3/c22-15-7-9-16(10-8-15)25-20(18(13-24-25)21(26)27)28-11-3-4-14-12-23-19-6-2-1-5-17(14)19/h1-2,5-10,12-13,23H,3-4,11H2,(H,26,27)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
RPM
RPM
表記:5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
組成式:C22 H21 N3 O3
SMILES:C(COc2n(c1ccccc1)ncc2C(O)=O)Cc4cnc3ccc(cc34)C
InChi:InChI=1S/C22H21N3O3/c1-15-9-10-20-18(12-15)16(13-23-20)6-5-11-28-21-19(22(26)27)14-24-25(21)17-7-3-2-4-8-17/h2-4,7-10,12-14,23H,5-6,11H2,1H3,(H,26,27)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
RPV
RPV
表記:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid
組成式:C21 H18 N4 O3
SMILES:c1cc(ccc1)n2ncc(C(O)=O)c2NC(CCc4c3c(cccc3)nc4)=O
InChi:InChI=1S/C21H18N4O3/c26-19(11-10-14-12-22-18-9-5-4-8-16(14)18)24-20-17(21(27)28)13-23-25(20)15-6-2-1-3-7-15/h1-9,12-13,22H,10-11H2,(H,24,26)(H,27,28)
定義日:2020-02-20
最終更新日:2020-07-10
公開日:2020-07-15
識別子（ID）:5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid

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