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7MO
7MO
表記:5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine
組成式:C13 H22 N7 O6 P
SMILES:NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1
定義日:2023-02-15
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine
7QJ
7QJ
表記:3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid
組成式:C18 H18 F3 N3 O3
SMILES:CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23
InChi:InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
定義日:2023-07-12
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid
NXO
NXO
表記:8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
組成式:C19 H14 F N O3 S
SMILES:Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34
InChi:InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2
定義日:2023-01-19
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
OL6
OL6
表記:(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
組成式:C20 H22 N2 O6 S
SMILES:CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O
InChi:InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1
定義日:2023-02-07
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
OS9
OS9
表記:8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
組成式:C29 H33 N3 O3
SMILES:COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2
InChi:InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33)
別名:LMD-009
定義日:2023-08-24
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
OXF
OXF
表記:2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
組成式:C21 H28 N2 O3
SMILES:OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2
InChi:InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
別名:ZK-756326
定義日:2023-08-24
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
QCX
QCX
表記:(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol
組成式:C25 H37 N7 O3
SMILES:CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12
InChi:InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol
QEC
QEC
表記:N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
組成式:C22 H31 N7 O
SMILES:COc1cc(CNC2CCC2)ccc1Cn1cc2nc(N)nc(NCCCC)c2n1
InChi:InChI=1S/C22H31N7O/c1-3-4-10-24-21-20-18(26-22(23)27-21)14-29(28-20)13-16-9-8-15(11-19(16)30-2)12-25-17-6-5-7-17/h8-9,11,14,17,25H,3-7,10,12-13H2,1-2H3,(H3,23,24,26,27)
定義日:2023-08-18
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
IX4
IX4
表記:~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
組成式:C12 H14 N6 O
SMILES:CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1
InChi:InChI=1S/C12H14N6O/c1-12(17-18-12)5-4-10(19)14-7-9-15-8-3-2-6-13-11(8)16-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,13,15,16)
定義日:2023-08-03
最終更新日:2024-02-02
公開日:2024-02-07
識別子（ID）:~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
WO0
WO0
表記:[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
組成式:C17 H30 O3
SMILES:O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C
InChi:InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1
定義日:2023-05-15
最終更新日:2024-01-31
公開日:2023-06-14
識別子（ID）:[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
UJX
UJX
表記: ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate
組成式:C19 H18 N2 O5
SMILES:CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3
InChi:InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1
別名:ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate
定義日:2023-02-06
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate
ZP8
ZP8
表記:1-(2-cyanoethanoyl)piperidine-4-carboxamide
組成式:C9 H13 N3 O2
SMILES:NC(=O)C1CCN(CC1)C(=O)CC#N
InChi:InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
定義日:2023-06-29
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:1-(2-cyanoethanoyl)piperidine-4-carboxamide
ZPI
ZPI
表記:6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
組成式:C13 H12 N2
SMILES:N#Cc1cccc2c3CCCCc3[nH]c12
InChi:InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2
定義日:2023-06-29
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
UKG
UKG
表記:4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
組成式:C11 H7 Br Cl N5 O2 S2
SMILES:Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3
InChi:InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18)
定義日:2023-02-06
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
ZPU
ZPU
表記:4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
組成式:C15 H16 N2 O
SMILES:CC(C)c1ccc(cc1)C(=O)Nc2ccccn2
InChi:InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)
定義日:2023-06-29
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
YQN
YQN
表記:~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide
組成式:C28 H33 N5 O4
SMILES:CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)[CH]4C=NC(=O)NC4=O
InChi:InChI=1S/C28H33N5O4/c1-28(2,3)19-11-13-21(14-12-19)33(26(36)22-17-30-27(37)32-24(22)34)23(18-8-7-15-29-16-18)25(35)31-20-9-5-4-6-10-20/h7-8,11-17,20,22-23H,4-6,9-10H2,1-3H3,(H,31,35)(H,32,34,37)/t22-,23-/m0/s1
定義日:2023-06-20
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide
UP9
UP9
表記:(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
組成式:C28 H38 F N7 O3
SMILES:O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O
InChi:InChI=1S/C28H38FN7O3/c1-32-8-11-34(12-9-32)27(38)17-5-6-19-22(14-17)31-24-20(26(30)37)15-21(29)25(23(19)24)35-7-3-4-18(16-35)36-13-10-33(2)28(36)39/h15,17-18,31H,3-14,16H2,1-2H3,(H2,30,37)/t17-,18-/m0/s1
定義日:2023-09-06
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
UPI
UPI
表記:3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid
組成式:C40 H38 N4 O16
SMILES:OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O
InChi:InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-
別名:uroporphyrin I
定義日:2023-02-01
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:3-[(1~{Z},9~{Z})-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid
YCB
YCB
表記:~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine
組成式:C25 H34 N6
SMILES:CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4
InChi:InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30)
定義日:2023-06-13
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine
UQX
UQX
表記:(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
組成式:C31 H30 N6 O3
SMILES:CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1
InChi:InChI=1S/C31H30N6O3/c1-18-6-5-7-19(12-18)13-26(35-29(38)20-10-11-24-21(14-20)16-33-36-24)31(40)37-17-27-23(15-28(37)30(39)32-2)22-8-3-4-9-25(22)34-27/h3-12,14,16,26,28,34H,13,15,17H2,1-2H3,(H,32,39)(H,33,36)(H,35,38)/t26-,28-/m1/s1
定義日:2023-09-06
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
YXJ
YXJ
表記:5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
組成式:C21 H28 N6 O
SMILES:NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1
InChi:InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
定義日:2023-03-03
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
U1L
U1L
表記:4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide
組成式:C15 H17 N5 O3
SMILES:C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO
InChi:InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1
定義日:2023-01-19
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide
U2C
U2C
表記:(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
組成式:C17 H17 Cl N4 O3
SMILES:C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO
InChi:InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1
定義日:2023-01-19
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
ZLI
ZLI
表記:~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
組成式:C14 H15 N O S
SMILES:Cc1ccc(CNC(=O)Cc2sccc2)cc1
InChi:InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
定義日:2023-06-28
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
U2O
U2O
表記:(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
組成式:C15 H17 Cl N4 O2
SMILES:C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO
InChi:InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1
定義日:2023-01-20
最終更新日:2024-01-26
公開日:2024-01-31
識別子（ID）:(2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide

224931

件を2024-09-11に公開中

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