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WXC
WXC
Name:2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one
Formula:C8 H9 N3 O
SMILES:Nc1ncc2C(=O)CCCc2n1
InChi:InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
Definition date:2023-05-22
Last modified:2024-05-10
Release date:2024-05-15
Identifier:2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one
YDL
YDL
Name:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Formula:C21 H32 F3 N5 O5
SMILES:FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
Synonyms:Ibuzatrelvir, bound form
Definition date:2023-12-01
Last modified:2024-05-10
Release date:2024-05-15
Identifier:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
A1AKU
A1AKU
Name:(4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline
Formula:C11 H12 N4 O3
SMILES:O=C(O)C1CC(O)CN1c1ncnc2[NH]ccc12
InChi:InChI=1S/C11H12N4O3/c16-6-3-8(11(17)18)15(4-6)10-7-1-2-12-9(7)13-5-14-10/h1-2,5-6,8,16H,3-4H2,(H,17,18)(H,12,13,14)/t6-,8-/m0/s1
Definition date:2024-04-04
Last modified:2024-05-10
Release date:2024-05-15
Identifier:(4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline
QUK
QUK
Name:8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
Formula:C13 H15 N3 O3
SMILES:NCCCOc1cc(nc2c(N)cccc12)C(O)=O
InChi:InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)
Definition date:2016-05-24
Last modified:2024-05-09
Release date:2017-03-01
Identifier:8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
3GE
3GE
Name:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Formula:C9 H15 N O6 S
SMILES:O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
Definition date:2014-08-15
Last modified:2024-05-08
Release date:2015-01-21
Identifier:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Q41
Q41
Name:2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium
Formula:C30 H32 F N4 O3
SMILES:Cn1cc[n+](Cc2cc(c3CCN(Cc4cc(OC)cc(OC)c4)C(=O)c3c2)c2ccc(F)cc2C)c1N
InChi:InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3/p+1
Definition date:2019-09-19
Last modified:2024-05-08
Release date:2020-01-01
Identifier:2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium
PQ3
PQ3
Name:N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
Formula:C34 H26 N6 O2
SMILES:C[n+]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc(nc12)C(=O)Nc1cc2ccccc2[n+](C)c1
InChi:InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
Synonyms:Phen-DC3
Definition date:2013-11-13
Last modified:2024-05-08
Release date:2014-01-22
Identifier:3,3'-[1,10-phenanthroline-2,9-diylbis(carbonylazanediyl)]bis(1-methylquinolin-1-ium)
QOJ
QOJ
Name:4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)
Formula:C34 H44 N4
SMILES:Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12
InChi:InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2
Definition date:2019-12-03
Last modified:2024-05-08
Release date:2020-04-01
Identifier:4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)
U5D
U5D
Name:2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:C23 H20 N2 O4
SMILES:CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
Definition date:2023-05-17
Last modified:2024-05-03
Release date:2024-05-08
Identifier:2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
A1AJQ
A1AJQ
Name:4-(piperazin-1-yl)quinoline
Formula:C13 H15 N3
SMILES:c1cc(c2ccccc2n1)N1CCNCC1
InChi:InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
Definition date:2024-04-03
Last modified:2024-05-03
Release date:2024-05-08
Identifier:4-(piperazin-1-yl)quinoline
UTI
UTI
Name:(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol
Formula:C30 H33 Br F N3 O5
SMILES:COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC
InChi:InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
Synonyms:TBAJ-587
Definition date:2023-06-21
Last modified:2024-04-26
Release date:2024-05-01
Identifier:(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol
WOQ
WOQ
Name:Setiptiline
Formula:C19 H19 N
SMILES:CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
InChi:InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
Synonyms:[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Definition date:2023-10-09
Last modified:2024-04-26
Release date:2024-05-01
Identifier:[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Y6E
Y6E
Name:1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
Formula:C25 H23 F N4 O3 S
SMILES:O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1
InChi:InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
Definition date:2023-06-12
Last modified:2024-04-26
Release date:2024-05-01
Identifier:1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
VZW
VZW
Name:1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid
Formula:C24 H23 F N4 O6 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5
InChi:InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35)
Definition date:2023-04-21
Last modified:2024-04-26
Release date:2024-05-01
Identifier:1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid
W1O
W1O
Name:1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid
Formula:C25 H26 F N5 O6 S
SMILES:N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1
InChi:InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37)
Definition date:2023-04-24
Last modified:2024-04-26
Release date:2024-05-01
Identifier:1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid
A1H6F
A1H6F
Name:~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
Formula:C30 H32 Cl N3 O2 S
SMILES:Cc1cnc2c(cccc2[S](=O)(=O)N3CCC(CCNCc4ccc(c(Cl)c4)c5ccccc5)CC3)c1
InChi:InChI=1S/C30H32ClN3O2S/c1-22-18-26-8-5-9-29(30(26)33-20-22)37(35,36)34-16-13-23(14-17-34)12-15-32-21-24-10-11-27(28(31)19-24)25-6-3-2-4-7-25/h2-11,18-20,23,32H,12-17,21H2,1H3
Synonyms:SCH66336
Definition date:2024-03-20
Last modified:2024-04-26
Release date:2024-05-01
Identifier:~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
A1AFH
A1AFH
Name:7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
Formula:C17 H19 N3 O4
SMILES:NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OCC
InChi:InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1
Definition date:2024-02-23
Last modified:2024-04-26
Release date:2024-05-01
Identifier:7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
A1AFO
A1AFO
Name:7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
Formula:C16 H17 N3 O4
SMILES:NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OC
InChi:InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1
Definition date:2024-02-23
Last modified:2024-04-26
Release date:2024-05-01
Identifier:7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
ZQF
ZQF
Name:2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
Formula:C38 H42 N4 O10 S2
SMILES:O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1
InChi:InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48)
Definition date:2023-03-20
Last modified:2024-04-19
Release date:2024-04-24
Identifier:2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
XS0
XS0
Name:namodenoson
Formula:C18 H18 Cl I N6 O4
SMILES:CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23
InChi:InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Synonyms:(2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
Definition date:2023-11-09
Last modified:2024-04-19
Release date:2024-04-24
Identifier:(2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
UEX
UEX
Name:6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
Formula:C25 H23 Cl N6 O3
SMILES:C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4
InChi:InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1
Definition date:2023-09-08
Last modified:2024-04-12
Release date:2024-04-17
Identifier:6-chloranyl-3-[[(1~{R})-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
WCK
WCK
Name:(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
Formula:C18 H20 N6 O S
SMILES:Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1
InChi:InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
Definition date:2023-09-29
Last modified:2024-04-12
Release date:2024-04-17
Identifier:(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
SZO
SZO
Name:5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:C22 H18 N2 O4
SMILES:Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3
Definition date:2023-04-19
Last modified:2024-04-12
Release date:2024-04-17
Identifier:5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
C74
C74
Name:4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:C16 H15 N4 O4 S
SMILES:O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1
Definition date:2023-05-23
Last modified:2024-04-12
Release date:2024-04-17
Identifier:4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
DQC
DQC
Name:7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Formula:C9 H4 N4 O4
SMILES:[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2
InChi:InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
Definition date:2008-01-03
Last modified:2024-04-12
Release date:2024-04-17
Identifier:7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

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건을2024-07-10부터공개중

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