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4ZE
4ZE
Name:4-amino-2-methylphenol
Formula:C7 H9 N O
SMILES:Oc1ccc(N)cc1C
InChi:InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
Definition date:2013-07-30
Last modified:2014-02-21
Release date:2014-02-26
Identifier:4-amino-2-methylphenol
5ZE
5ZE
Name:4,6-dimethylpyrimidin-2-amine
Formula:C6 H9 N3
SMILES:n1c(cc(nc1N)C)C
InChi:InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
Definition date:2013-07-30
Last modified:2014-02-21
Release date:2014-02-26
Identifier:4,6-dimethylpyrimidin-2-amine
6H6
6H6
Name:3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
Formula:C10 H9 N O4
SMILES:[O-]C(=O)CCN1c2ccccc2OC1=O
InChi:InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)/p-1
Definition date:2013-02-07
Last modified:2014-02-21
Release date:2014-02-26
Identifier:3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoate
QDM
QDM
Name:TDP-3,6-dideoxy-3-N,N-dimethylglucose
Formula:C18 H31 N3 O14 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N(C)C)C3O)C)O)O)C
InChi:InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1
Definition date:2014-02-17
Last modified:2014-02-21
Release date:2014-02-26
Identifier:(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
3OM
3OM
Name:(3S)-1-octen-3-ol
Formula:C8 H16 O
SMILES:OC(/C=C)CCCCC
InChi:InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
Definition date:2014-02-19
Last modified:2014-02-21
Release date:2014-02-26
Identifier:(3S)-oct-1-en-3-ol
SH2
SH2
Name:(R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Formula:C18 H26 N2 O6
SMILES:O=C(NCCC(=O)NCCc1ccc2OCOc2c1)C(O)C(C)(C)CO
InChi:InChI=1S/C18H26N2O6/c1-18(2,10-21)16(23)17(24)20-8-6-15(22)19-7-5-12-3-4-13-14(9-12)26-11-25-13/h3-4,9,16,21,23H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,24)/t16-/m0/s1
Definition date:2013-11-14
Last modified:2014-02-21
Release date:2014-02-26
Identifier:(2R)-N-(3-{[2-(1,3-benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
8ZE
8ZE
Name:2,3-dihydro-1,4-benzodioxin-6-ylmethanol
Formula:C9 H10 O3
SMILES:O1c2c(OCC1)cc(cc2)CO
InChi:InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2
Definition date:2013-07-31
Last modified:2014-02-21
Release date:2014-02-26
Identifier:2,3-dihydro-1,4-benzodioxin-6-ylmethanol
F4D
F4D
Name:4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide
Formula:C25 H21 F N6 O4 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc4ccc(Oc2ccc(C(=[N@H])N)cc2)nc4Oc3ccc(C(=[N@H])N)cc3
InChi:InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30)
Definition date:2013-09-08
Last modified:2014-02-21
Release date:2014-02-26
Identifier:4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide
1DK
1DK
Name:{4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
Formula:C26 H23 N O5 S
SMILES:O=C(C2=C(O)C(=O)N(c1ccc(cc1)CC(=O)O)C2c3cc(c(cc3C)C)C)c4sccc4
InChi:InChI=1S/C26H23NO5S/c1-14-11-16(3)19(12-15(14)2)23-22(24(30)20-5-4-10-33-20)25(31)26(32)27(23)18-8-6-17(7-9-18)13-21(28)29/h4-12,23,31H,13H2,1-3H3,(H,28,29)/t23-/m1/s1
Definition date:2012-12-11
Last modified:2014-02-21
Release date:2014-02-26
Identifier:{4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
22H
22H
Name:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol
Formula:C11 H22 N O11 P
SMILES:O=P(OCC(O)C(O)C(OC(C(=O)O)C)C(NC(=O)C)CO)(O)O
InChi:InChI=1S/C11H22NO11P/c1-5(11(17)18)23-10(7(3-13)12-6(2)14)9(16)8(15)4-22-24(19,20)21/h5,7-10,13,15-16H,3-4H2,1-2H3,(H,12,14)(H,17,18)(H2,19,20,21)/t5-,7+,8-,9-,10-/m1/s1
Definition date:2013-08-23
Last modified:2014-02-21
Release date:2014-02-26
Identifier:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol
7B7
7B7
Name:1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
Formula:C21 H26 N4 O3
SMILES:O=C(N2C(c1c(OC)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3
InChi:InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1
Definition date:2013-02-15
Last modified:2014-02-14
Release date:2014-02-19
Identifier:1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
M00
M00
Name:N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
Formula:C15 H19 N3 O3
SMILES:O=C(NC(CC)CO)CCC2=Nc1c(cccc1)C(=O)N2
InChi:InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
2SW
2SW
Name:[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Formula:C28 H35 Cl2 N O5 S
SMILES:O=C(O)CC3(C(=O)N(C(CS(=O)(=O)C(C)(C)C)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3)C
InChi:InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
Definition date:2014-01-25
Last modified:2014-02-14
Release date:2014-02-19
Identifier:[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
2ZM
2ZM
Name:5-nitro-1H-benzimidazole
Formula:C7 H5 N3 O2
SMILES:[O-][N+](=O)c1cc2ncnc2cc1
InChi:InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
Definition date:2013-09-20
Last modified:2014-02-14
Release date:2014-02-19
Identifier:5-nitro-1H-benzimidazole
M7K
M7K
Name:7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine
Formula:C18 H18 F N3
SMILES:Fc1cccc(c1)CNCCc2cc3nc(ccc3cc2)N
InChi:InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
Definition date:2013-10-09
Last modified:2014-02-14
Release date:2014-02-19
Identifier:7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine
M95
M95
Name:(2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
Formula:C20 H19 N3 O3
SMILES:O=C3N=C(C=CC(=O)NC(Cc1ccccc1)CO)Nc2ccccc23
InChi:InChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:(2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
1V9
1V9
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
Formula:C20 H21 N3 O2
SMILES:O=C(NC(c1ccccc1)CC)CCC3=Nc2c(cccc2)C(=O)N3
InChi:InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
1VA
1VA
Name:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
Formula:C20 H21 N3 O3
SMILES:O=C(NC(Cc1ccccc1)CO)CCC3=Nc2c(cccc2)C(=O)N3
InChi:InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
1VB
1VB
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
Formula:C19 H20 N4 O4 S
SMILES:O=S(=O)(N)c1ccc(cc1)C(NC(=O)CCC3=Nc2c(cccc2)C(=O)N3)C
InChi:InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
1VC
1VC
Name:methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate
Formula:C21 H21 N3 O4
SMILES:O=C(OC)C(NC(=O)CCC2=Nc1c(cccc1)C(=O)N2)Cc3ccccc3
InChi:InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate
1VD
1VD
Name:N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
Formula:C22 H21 N5 O2
SMILES:O=C1c4ccccc4N=C(N1)CCC(=O)NC(c2ccc(cc2)n3ccnc3)C
InChi:InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m0/s1
Definition date:2013-06-17
Last modified:2014-02-14
Release date:2014-02-19
Identifier:N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
1VM
1VM
Name:7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Formula:C20 H17 N7 S
SMILES:n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(c(c5)C)C
InChi:InChI=1S/C20H17N7S/c1-10-7-15-16(8-11(10)2)27(18(24-15)19-23-5-6-28-19)12-3-4-13-14(9-12)25-20(22)26-17(13)21/h3-9H,1-2H3,(H4,21,22,25,26)
Definition date:2013-06-20
Last modified:2014-02-14
Release date:2014-02-19
Identifier:7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
1VN
1VN
Name:6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Formula:C20 H16 Cl N7 S
SMILES:Clc5cc1c(nc(nc1N)N)cc5n2c4c(nc2c3nccs3)cc(c(c4)C)C
InChi:InChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27)
Definition date:2013-06-20
Last modified:2014-02-14
Release date:2014-02-19
Identifier:6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
1VO
1VO
Name:7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Formula:C20 H17 N7 S
SMILES:n5c(c1nc4c(n1c3cc2nc(nc(N)c2cc3)N)cc(c(c4)C)C)csc5
InChi:InChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26)
Definition date:2013-06-20
Last modified:2014-02-14
Release date:2014-02-19
Identifier:7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
1VW
1VW
Name:2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Formula:C26 H26 N6 O3
SMILES:O=C2c1ccccc1C(=O)N2CC6c3ccccc3CCN6C(=O)C5CCCCC5c4nnnn4
InChi:InChI=1S/C26H26N6O3/c33-24(19-10-4-3-9-18(19)23-27-29-30-28-23)31-14-13-16-7-1-2-8-17(16)22(31)15-32-25(34)20-11-5-6-12-21(20)26(32)35/h1-2,5-8,11-12,18-19,22H,3-4,9-10,13-15H2,(H,27,28,29,30)/t18-,19+,22+/m0/s1
Definition date:2013-06-24
Last modified:2014-02-14
Release date:2014-02-19
Identifier:2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione

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건을2024-09-11부터공개중

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