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RDM
RDM
表記:(2R)-2-(acetylamino)-4-phenylbutanoic acid
組成式:C12 H15 N O3
SMILES:C(c1ccccc1)CC(C(=O)O)NC(=O)C
InChi:InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2R)-2-(acetylamino)-4-phenylbutanoic acid
RDV
RDV
表記:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
組成式:C12 H22 N2 O
SMILES:C2C(CCC(=O)N1CCNCC1)CCC2
InChi:InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
RDY
RDY
表記:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
組成式:C12 H15 N O4
SMILES:O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C
InChi:InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
RE4
RE4
表記:6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
組成式:C11 H13 N5
SMILES:c2(nc(NCc1cccnc1)cc(n2)C)N
InChi:InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
RE7
RE7
表記:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
組成式:C13 H16 F N3
SMILES:c1cc(ccc1F)C(NCCn2cccn2)C
InChi:InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
REG
REG
表記:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
組成式:C11 H20 N2 O2
SMILES:O=C(NC[CH]1CCCO1)NC2CCCC2
InChi:InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
RM7
RM7
表記:2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
組成式:C20 H29 N5 O S2
SMILES:C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCCC3)=O)N4CCCCC4
InChi:InChI=1S/C20H29N5OS2/c21-18-17-14-7-3-1-4-8-15(14)28-19(17)24-20(23-18)27-13-16(26)22-9-12-25-10-5-2-6-11-25/h1-13H2,(H,22,26)(H2,21,23,24)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
RMG
RMG
表記:2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
組成式:C19 H28 N4 S2
SMILES:C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4
InChi:InChI=1S/C19H28N4S2/c20-17-16-14-8-3-1-4-9-15(14)25-18(16)22-19(21-17)24-13-7-12-23-10-5-2-6-11-23/h1-13H2,(H2,20,21,22)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
RMJ
RMJ
表記:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
組成式:C18 H25 N5 O S2
SMILES:C(CNC(CSc1nc(N)c2c(n1)sc3c2CCC3)=O)N4CCCCC4
InChi:InChI=1S/C18H25N5OS2/c19-16-15-12-5-4-6-13(12)26-17(15)22-18(21-16)25-11-14(24)20-7-10-23-8-2-1-3-9-23/h1-11H2,(H,20,24)(H2,19,21,22)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
RMS
RMS
表記:2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
組成式:C17 H24 N4 S2
SMILES:C4N(CCCSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4
InChi:InChI=1S/C17H24N4S2/c18-15-14-12-6-4-7-13(12)23-16(14)20-17(19-15)22-11-5-10-21-8-2-1-3-9-21/h1-11H2,(H2,18,19,20)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
RMV
RMV
表記:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
組成式:C17 H25 N5 O S2
SMILES:C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)CC
InChi:InChI=1S/C17H25N5OS2/c1-3-22(4-2)9-8-19-13(23)10-24-17-20-15(18)14-11-6-5-7-12(11)25-16(14)21-17/h3-10H2,1-2H3,(H,19,23)(H2,18,20,21)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
RN4
RN4
表記:(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
組成式:C24 H30 N4 S2
SMILES:C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c5CCC(C3)c4ccccc4
InChi:InChI=1S/C24H30N4S2/c25-22-21-19-11-10-18(17-8-3-1-4-9-17)16-20(19)30-23(21)27-24(26-22)29-15-7-14-28-12-5-2-6-13-28/h1,3-4,8-9,18H,2,5-7,10-16H2,(H2,25,26,27)/t18-/m0/s1
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RN7
RN7
表記:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
組成式:C18 H25 N5 O2 S2
SMILES:C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)=O
InChi:InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
RNJ
RNJ
表記:(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
組成式:C19 H26 N4 S2
SMILES:C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C3)C)N)C4
InChi:InChI=1S/C19H26N4S2/c1-13-6-7-14-15(12-13)25-18-16(14)17(20)21-19(22-18)24-11-5-10-23-8-3-2-4-9-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,22)/t13-/m1/s1
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RNM
RNM
表記:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
組成式:C18 H26 N4 S2
SMILES:Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C
InChi:InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RNV
RNV
表記:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
組成式:C18 H27 N5 O S2
SMILES:C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC
InChi:InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22)
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
ROG
ROG
表記:2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
組成式:C17 H24 N4 S2
SMILES:C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CCCC4)N
InChi:InChI=1S/C17H24N4S2/c1-21-8-4-5-11(9-21)10-22-17-19-15(18)14-12-6-2-3-7-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20)/t11-/m0/s1
定義日:2020-02-17
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ROJ
ROJ
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
組成式:C15 H22 Cl N5 O12 P2
SMILES:C1(COC(C1O)COP(OP(O)(=O)OCC2C(C(C(O2)n3c4c(nc3)c(N)ncn4)O)O)(=O)O)Cl
InChi:InChI=1S/C15H22ClN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,8-,10+,11-,12-,15-/m1/s1
定義日:2020-02-18
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-chloro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
RQD
RQD
表記:methyl 4-fluoro-L-phenylalaninate
組成式:C10 H12 F N O2
SMILES:c1(ccc(F)cc1)CC(N)C(OC)=O
InChi:InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1
定義日:2020-02-20
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:methyl 4-fluoro-L-phenylalaninate
N0Z
N0Z
表記:2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
組成式:C10 H9 N5 O
SMILES:Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1
InChi:InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)
定義日:2019-11-05
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
N4K
N4K
表記:5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
組成式:C27 H32 N4 O2 S
SMILES:Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
InChi:InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
定義日:2019-11-11
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
K75
K75
表記:(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
組成式:C13 H14 N6
SMILES:CNc1[nH]c2cc3N=C(N)N[CH](C#CC)c3cc2n1
InChi:InChI=1S/C13H14N6/c1-3-4-8-7-5-10-11(19-13(15-2)18-10)6-9(7)17-12(14)16-8/h5-6,8H,1-2H3,(H3,14,16,17)(H2,15,18,19)/t8-/m1/s1
定義日:2019-05-01
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
K7H
K7H
表記:~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
組成式:C10 H12 N6
SMILES:CNc1[nH]c2cc3N=C(N)NCc3cc2n1
InChi:InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16)
定義日:2019-05-01
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
K8H
K8H
表記:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
組成式:C19 H28 N6 O3
SMILES:Nc1ncnc2n(ccc12)[CH]3O[CH](CN4CCCC45CCNCC5)[CH](O)[CH]3O
InChi:InChI=1S/C19H28N6O3/c20-16-12-2-9-25(17(12)23-11-22-16)18-15(27)14(26)13(28-18)10-24-8-1-3-19(24)4-6-21-7-5-19/h2,9,11,13-15,18,21,26-27H,1,3-8,10H2,(H2,20,22,23)/t13-,14-,15-,18-/m1/s1
定義日:2019-05-02
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
LQ8
LQ8
表記:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
組成式:C28 H30 N2 O7
SMILES:OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O
InChi:InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
定義日:2019-08-30
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid

224572

件を2024-09-04に公開中

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