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R6K
R6K
表記:2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
組成式:C34 H41 N7 O2
SMILES:CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3
InChi:InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1
定義日:2020-09-07
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
ROY
ROY
表記:3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
組成式:C17 H20 Cl2 N4 O
SMILES:C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4
InChi:InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24)
定義日:2020-02-18
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SL4
SL4
表記:5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
組成式:C23 H20 F N3 O4 S
SMILES:CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34
InChi:InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1
定義日:2020-03-11
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
TJG
TJG
表記:7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
組成式:C21 H27 N3 O2
SMILES:c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4
InChi:InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17-
定義日:2020-03-23
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
SWS
SWS
表記:7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
組成式:C21 H28 N4 O2
SMILES:CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4
InChi:InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17-
定義日:2020-03-13
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
TUS
TUS
表記:(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
組成式:C23 H29 N O5
SMILES:C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C
InChi:InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
定義日:2020-03-31
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
V4A
V4A
表記:Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
組成式:C22 H16 N8 Pt
SMILES:c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8
InChi:InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11
定義日:2020-06-24
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+)
VFG
VFG
表記:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
組成式:C5 H8 N4 O3 S2
SMILES:CCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
定義日:2020-08-07
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
VFJ
VFJ
表記:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
組成式:C6 H10 N4 O3 S2
SMILES:C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
定義日:2020-08-07
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
VFM
VFM
表記:2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
組成式:C6 H10 N4 O3 S2
SMILES:CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
定義日:2020-08-10
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
VGS
VGS
表記:2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
組成式:C7 H12 N4 O3 S2
SMILES:CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C
InChi:InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
定義日:2020-08-10
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
VGV
VGV
表記:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
組成式:C9 H14 N4 O3 S2
SMILES:C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
InChi:InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
定義日:2020-08-10
最終更新日:2020-10-30
公開日:2020-11-04
識別子（ID）:N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Q3W
Q3W
表記:Carborane nido-butyl-sulfonamide
組成式:C6 H10 B9 N O2 S
SMILES:N[S](=O)(=O)CCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:InChI=1S/C6H10B9NO2S/c16-19(17,18)4-2-1-3-6-5-7-9-8(6)12(6)10(5,6)11(5,7)13(7,9)14(8,9,12)15(10,11,12)13/h1-4H2,(H2,16,17,18)
定義日:2020-05-07
最終更新日:2020-10-28
公開日:2020-10-28
W4D
W4D
表記:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
組成式:C18 H14 N4 O
SMILES:c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4
InChi:InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
定義日:2020-09-27
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
W4G
W4G
表記:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
組成式:C18 H14 N4 O
SMILES:C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O
InChi:InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
定義日:2020-09-28
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
WA3
WA3
表記:(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol
組成式:C42 H68 N6 O27 S4
SMILES:C1(C(C(O)C(O)C(O1)CO)O)SC2OC(C(C(C2O)O)O)CSCc8nnn(CC3OC(C(C(C3O)O)O)OC4OC(C(C(C4O)O)O)Cn5cc(nn5)CSCC7C(C(O)C(O)C(SC6C(C(O)C(O)C(CO)O6)O)O7)O)c8
InChi:InChI=1S/C42H68N6O27S4/c49-5-15-21(53)27(59)33(65)39(71-15)78-41-35(67)29(61)23(55)17(73-41)9-76-7-11-1-47(45-43-11)3-13-19(51)25(57)31(63)37(69-13)75-38-32(64)26(58)20(52)14(70-38)4-48-2-12(44-46-48)8-77-10-18-24(56)30(62)36(68)42(74-18)79-40-34(66)28(60)22(54)16(6-50)72-40/h1-2,13-42,49-68H,3-10H2/t13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1
定義日:2020-01-09
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
CEU
CEU
表記:N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
組成式:C10 H18 N6
SMILES:CNc1cc(nc(N)n1)N2CCN(C)CC2
InChi:InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CG0
CG0
表記:N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
組成式:C14 H24 N6
SMILES:CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3
InChi:InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CGX
CGX
表記:N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
組成式:C14 H23 N5
SMILES:CCc1c(NC2CC2)nc(N)nc1N3CCCCC3
InChi:InChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CJ0
CJ0
表記:N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
組成式:C9 H15 N5 O
SMILES:CNc1cc(nc(N)n1)N2CCOCC2
InChi:InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CJ6
CJ6
表記:N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
組成式:C12 H20 N6
SMILES:CN1CCN(CC1)c2cc(NC3CC3)nc(N)n2
InChi:InChI=1S/C12H20N6/c1-17-4-6-18(7-5-17)11-8-10(14-9-2-3-9)15-12(13)16-11/h8-9H,2-7H2,1H3,(H3,13,14,15,16)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CJ9
CJ9
表記:N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
組成式:C12 H19 N5
SMILES:Nc1nc(NC2CC2)cc(n1)N3CCCCC3
InChi:InChI=1S/C12H19N5/c13-12-15-10(14-9-4-5-9)8-11(16-12)17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CJF
CJF
表記:N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
組成式:C11 H17 N5 O
SMILES:Nc1nc(NC2CC2)cc(n1)N3CCOCC3
InChi:InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CJL
CJL
表記:N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
組成式:C14 H22 N6 O
SMILES:Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4
InChi:InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
CJR
CJR
表記:N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
組成式:C12 H20 N6 O
SMILES:CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3
InChi:InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
定義日:2019-04-24
最終更新日:2020-10-23
公開日:2020-10-28
識別子（ID）:~{N}4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

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件を2024-07-17に公開中

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