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XH3
XH3
表記:3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid
組成式:C15 H11 N3 O3
SMILES:OC(=O)c1nc2ccccc2nc1Nc3cccc(O)c3
InChi:InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
定義日:2023-11-01
最終更新日:2024-11-08
公開日:2024-11-13
識別子（ID）:3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid
IEU
IEU
表記:6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline
組成式:C23 H22 Cl N5 O2
SMILES:Cn1cc(nc1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1
InChi:InChI=1S/C23H22ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13-14H,9-12,15H2,1H3
定義日:2022-01-25
最終更新日:2024-11-07
公開日:2022-10-12
識別子（ID）:6-chloro-2-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)quinazoline
YMZ
YMZ
表記:(11R,12S)- Mefloquine
組成式:C17 H16 F6 N2 O
SMILES:O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1
定義日:2017-01-30
最終更新日:2024-11-05
公開日:2017-03-01
識別子（ID）:(~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol
XE9
XE9
表記:[3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine
組成式:C20 H21 Cl N4
SMILES:NCc1cccc(c1)c2ccc3nc(N4CCNCC4)c(Cl)cc3c2
InChi:InChI=1S/C20H21ClN4/c21-18-12-17-11-16(15-3-1-2-14(10-15)13-22)4-5-19(17)24-20(18)25-8-6-23-7-9-25/h1-5,10-12,23H,6-9,13,22H2
定義日:2023-10-31
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:[3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine
A1BBA
A1BBA
表記:(1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
組成式:C14 H18 N3 O7 P
SMILES:OP(=O)(O)OCC1OC(CC1O)c1cc(C)c2N=C(N)NC(=O)c2c1
InChi:InChI=1S/C14H18N3O7P/c1-6-2-7(3-8-12(6)16-14(15)17-13(8)19)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1
定義日:2024-09-29
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:(1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
A1BEM
A1BEM
表記:N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
組成式:C13 H20 N4 O
SMILES:CN1CCN(CC1)c1ncccc1C(=O)NCC
InChi:InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18)
別名:~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine
定義日:2024-10-30
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
A1A3R
A1A3R
表記:(2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine
組成式:C9 H14 Cl N3 O S
SMILES:CC1COC(C)CN1Cc1nnsc1Cl
InChi:InChI=1S/C9H14ClN3OS/c1-6-5-14-7(2)3-13(6)4-8-9(10)15-12-11-8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
定義日:2024-08-29
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:(2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine
A1H90
A1H90
表記:N-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine
組成式:C22 H26 Cl2 N4 O3
SMILES:CCN(CC)CCOc1cc2ncnc(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
InChi:InChI=1S/C22H26Cl2N4O3/c1-5-28(6-2)7-8-31-21-11-17-14(9-20(21)30-4)22(26-13-25-17)27-18-12-19(29-3)16(24)10-15(18)23/h9-13H,5-8H2,1-4H3,(H,25,26,27)
定義日:2024-04-30
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:~{N}-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine
A1ICU
A1ICU
表記:3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
組成式:C27 H31 N3 O3
SMILES:OC1(CCN(CC1)C(=O)[CH]2CCCC[CH]2c3ccccc3)CN4C=Nc5ccccc5C4=O
InChi:InChI=1S/C27H31N3O3/c31-25(22-11-5-4-10-21(22)20-8-2-1-3-9-20)29-16-14-27(33,15-17-29)18-30-19-28-24-13-7-6-12-23(24)26(30)32/h1-3,6-9,12-13,19,21-22,33H,4-5,10-11,14-18H2/t21-,22+/m0/s1
定義日:2024-06-04
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
A1ICV
A1ICV
表記:3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
組成式:C33 H36 N4 O3
SMILES:OC1(CCN(CC1)C(=O)[CH]2CCN(C[CH]2c3ccccc3)Cc4ccccc4)CN5C=Nc6ccccc6C5=O
InChi:InChI=1S/C33H36N4O3/c38-31(27-15-18-35(21-25-9-3-1-4-10-25)22-29(27)26-11-5-2-6-12-26)36-19-16-33(40,17-20-36)23-37-24-34-30-14-8-7-13-28(30)32(37)39/h1-14,24,27,29,40H,15-23H2/t27-,29+/m0/s1
定義日:2024-06-04
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
A1ICW
A1ICW
表記:3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
組成式:C34 H38 N4 O3
SMILES:OC1(CCN(CC1)C(=O)[CH]2CCN(CCc3ccccc3)C[CH]2c4ccccc4)CN5C=Nc6ccccc6C5=O
InChi:InChI=1S/C34H38N4O3/c39-32(37-21-17-34(41,18-22-37)24-38-25-35-31-14-8-7-13-29(31)33(38)40)28-16-20-36(19-15-26-9-3-1-4-10-26)23-30(28)27-11-5-2-6-12-27/h1-14,25,28,30,41H,15-24H2/t28-,30+/m1/s1
定義日:2024-06-04
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one
A1II2
A1II2
表記:4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline
組成式:C13 H14 Br N3
SMILES:Nc1ccc(CNCc2cncc(Br)c2)cc1
InChi:InChI=1S/C13H14BrN3/c14-12-5-11(8-17-9-12)7-16-6-10-1-3-13(15)4-2-10/h1-5,8-9,16H,6-7,15H2
定義日:2024-07-27
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline
A1IL0
A1IL0
表記:(2~{R})-3-(4-chlorophenyl)-2-[2-[(2~{R})-1-isoquinolin-4-ylcarbonylpyrrolidin-2-yl]ethanoyl-methyl-amino]-~{N}-methyl-propanamide
組成式:C27 H29 Cl N4 O3
SMILES:CNC(=O)[CH](Cc1ccc(Cl)cc1)N(C)C(=O)C[CH]2CCCN2C(=O)c3cncc4ccccc34
InChi:InChI=1S/C27H29ClN4O3/c1-29-26(34)24(14-18-9-11-20(28)12-10-18)31(2)25(33)15-21-7-5-13-32(21)27(35)23-17-30-16-19-6-3-4-8-22(19)23/h3-4,6,8-12,16-17,21,24H,5,7,13-15H2,1-2H3,(H,29,34)/t21-,24-/m1/s1
定義日:2024-08-20
最終更新日:2024-11-01
公開日:2024-11-06
識別子（ID）:(2~{R})-3-(4-chlorophenyl)-2-[2-[(2~{R})-1-isoquinolin-4-ylcarbonylpyrrolidin-2-yl]ethanoyl-methyl-amino]-~{N}-methyl-propanamide
A1ILH
A1ILH
表記:(2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone
組成式:C31 H41 N7 O6
SMILES:C[CH]1NC(=O)[CH](CCCN)NC(=O)C2(COCOC2)C=Cc3ccc4ccc(nc4c3)[CH](C)NC(=O)[CH]5CCC[N](N5)C1=O
InChi:InChI=1S/C31H41N7O6/c1-19-23-10-9-22-8-7-21(15-26(22)35-23)11-12-31(16-43-18-44-17-31)30(42)36-24(5-3-13-32)27(39)34-20(2)29(41)38-14-4-6-25(37-38)28(40)33-19/h7-12,15,19-20,24-25,37H,3-6,13-14,16-18,32H2,1-2H3,(H,33,40)(H,34,39)(H,36,42)/b12-11+/t19-,20+,24+,25+/m1/s1
定義日:2024-08-19
最終更新日:2024-11-01
公開日:2024-11-06
Y7B
Y7B
表記:2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
組成式:C24 H26 N4 O3
SMILES:CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5
InChi:InChI=1S/C24H26N4O3/c1-16(29)28-9-8-23-21(15-28)20-14-17(2-7-22(20)26-23)24(30)25-18-3-5-19(6-4-18)27-10-12-31-13-11-27/h2-7,14,26H,8-13,15H2,1H3,(H,25,30)
定義日:2023-11-23
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
A1BD2
A1BD2
表記:dyphylline
組成式:C10 H14 N4 O4
SMILES:OCC(O)Cn1cnc2c1C(=O)N(C)C(=O)N2C
InChi:InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m1/s1
定義日:2024-10-22
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
A1BD3
A1BD3
表記:enprofylline
組成式:C8 H10 N4 O2
SMILES:O=C1NC(=O)N(CCC)c2nc[NH]c21
InChi:InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
定義日:2024-10-22
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:3-propyl-3,7-dihydro-1H-purine-2,6-dione
A1BDN
A1BDN
表記:1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one
組成式:C12 H14 N2 O
SMILES:O=C1NC2(CCCC2)Nc2ccccc12
InChi:InChI=1S/C12H14N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
定義日:2024-10-15
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one
A1BDO
A1BDO
表記:N-[2-(6-methylpyridin-3-yl)ethyl]aniline
組成式:C14 H16 N2
SMILES:Cc1ccc(CCNc2ccccc2)cn1
InChi:InChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3
定義日:2024-10-15
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:N-[2-(6-methylpyridin-3-yl)ethyl]aniline
A1H9B
A1H9B
表記:(R)-2-(2-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate
組成式:C32 H26 N2 O7 S
SMILES:COc1ccc(cc1)[S](=O)(=O)N2CCc3ccc(cc3C2)[CH](NC(=O)c4cccc5C(=O)c6ccccc6c45)C(O)=O
InChi:InChI=1S/C32H26N2O7S/c1-41-22-11-13-23(14-12-22)42(39,40)34-16-15-19-9-10-20(17-21(19)18-34)29(32(37)38)33-31(36)27-8-4-7-26-28(27)24-5-2-3-6-25(24)30(26)35/h2-14,17,29H,15-16,18H2,1H3,(H,33,36)(H,37,38)/t29-/m1/s1
別名:(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
定義日:2024-04-24
最終更新日:2024-10-25
公開日:2024-10-30
識別子（ID）:(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
X31
X31
表記:1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one
組成式:C33 H52 N6 O3
SMILES:CC(=O)N1CCC(CC1)N(C)c1nc(nc2cc(OCCCN3CCCCC3)c(OC)cc21)N1CCCCCCCC1
InChi:InChI=1S/C33H52N6O3/c1-26(40)38-21-14-27(15-22-38)36(2)32-28-24-30(41-3)31(42-23-13-18-37-16-9-8-10-17-37)25-29(28)34-33(35-32)39-19-11-6-4-5-7-12-20-39/h24-25,27H,4-23H2,1-3H3
定義日:2023-10-20
最終更新日:2024-10-18
公開日:2024-10-23
識別子（ID）:1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one
X4H
X4H
表記:Narazaciclib
組成式:C24 H27 N7 O
SMILES:CN1CCN(CC1)c1ccc(Nc2nc3N(C4CCCC4)C(=O)C(C#N)=Cc3cn2)cc1
InChi:InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
別名:8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
定義日:2023-10-20
最終更新日:2024-10-18
公開日:2024-10-23
識別子（ID）:8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
A1BCT
A1BCT
表記:1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
組成式:C16 H18 Cl N5 O2
SMILES:O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1
InChi:InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
定義日:2024-10-04
最終更新日:2024-10-18
公開日:2024-10-23
識別子（ID）:1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
A1A2J
A1A2J
表記:(2S,4S)-4-amino-1-benzoylpyrrolidine-2-carbaldehyde
組成式:C12 H14 N2 O3
SMILES:NC1CC(C(=O)O)N(C1)C(=O)c1ccccc1
InChi:InChI=1S/C12H14N2O3/c13-9-6-10(12(16)17)14(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,16,17)/t9-,10-/m0/s1
定義日:2024-08-18
最終更新日:2024-10-18
公開日:2024-10-23
識別子（ID）:(4S)-4-amino-1-benzoyl-L-proline
KF0
KF0
表記:N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide
組成式:C14 H14 Cl F3 N2 O2
SMILES:O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C
InChi:InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
定義日:2023-08-11
最終更新日:2024-10-11
公開日:2024-10-16
識別子（ID）:N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide

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件を2024-11-13に公開中

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