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S3V
S3V
Name:pyridine-4-carboxylic acid
Formula:C6 H5 N O2
SMILES:OC(=O)c1ccncc1
InChi:InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Definition date:2020-03-04
Last modified:2020-04-17
Release date:2020-04-22
Identifier:pyridine-4-carboxylic acid
OKZ
OKZ
Name:4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
Formula:C13 H14 N2 O4 S
SMILES:CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
Definition date:2020-03-19
Last modified:2020-04-03
Release date:2020-04-08
Identifier:4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
9H6
9H6
Name:1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one
Formula:C21 H24 N4 O2
SMILES:C15(C(N(C)c2ccccc12)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5
InChi:InChI=1S/C21H24N4O2/c1-24-17-9-5-3-7-15(17)21(19(24)27)10-12-25(13-11-21)20-22-16-8-4-2-6-14(16)18(26)23-20/h3,5,7,9H,2,4,6,8,10-13H2,1H3,(H,22,23,26)
Definition date:2018-04-27
Last modified:2019-03-29
Release date:2019-04-03
Identifier:1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one
8ZX
8ZX
Name:4-methoxybenzamide
Formula:C8 H9 N O2
SMILES:COc1ccc(cc1)C(N)=O
InChi:InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
Definition date:2017-11-15
Last modified:2019-02-22
Release date:2019-02-27
Identifier:4-methoxybenzamide
BGW
BGW
Name:1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
Formula:C20 H20 N2 O3 S
SMILES:OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc2
InChi:InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24)
Definition date:2017-10-04
Last modified:2017-12-08
Release date:2017-12-13
Identifier:1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
JVT
JVT
Name:N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
Formula:C19 H21 N5 O
SMILES:O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4
InChi:InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22)
Definition date:2013-08-14
Last modified:2015-08-28
Release date:2015-09-02
Identifier:N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
PV4
PV4
Name:2-phenoxy-5-propyl-phenol
Formula:C15 H16 O2
SMILES:O(c1ccccc1)c2ccc(cc2O)CCC
InChi:InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
Definition date:2013-05-15
Last modified:2014-09-05
Release date:2013-06-05
Identifier:2-phenoxy-5-propylphenol
I5R
I5R
Name:(2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one
Formula:C16 H14 N4 O
SMILES:O=C2Nc1ncccc1NC2Cc4c3ccccc3nc4
InChi:InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1
Definition date:2013-02-25
Last modified:2013-03-15
Release date:2013-03-20
Identifier:(2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one
1HX
1HX
Name:N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide
Formula:C15 H13 Cl F N3 O
SMILES:O=C(c1ccc(C#N)n1C)NC(c2c(F)cccc2Cl)C
InChi:InChI=1S/C15H13ClFN3O/c1-9(14-11(16)4-3-5-12(14)17)19-15(21)13-7-6-10(8-18)20(13)2/h3-7,9H,1-2H3,(H,19,21)/t9-/m0/s1
Definition date:2013-02-08
Last modified:2013-03-08
Release date:2013-03-13
Identifier:N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide
5SI
5SI
Name:2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione
Formula:C15 H20 N O12 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2)CC3O
InChi:InChI=1S/C15H20NO12P3S/c1-9-2-3-11-10(6-9)4-5-16(15(11)32)14-7-12(17)13(26-14)8-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t12-,13+,14+/m0/s1
Definition date:2011-07-29
Last modified:2012-06-01
Identifier:2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione
251
251
Name:N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Formula:C19 H18 N4 O
SMILES:O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
InChi:InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
Definition date:2007-09-11
Last modified:2011-06-04
Identifier:N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
GPD
GPD
Name:(2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
Formula:C16 H26 N6 O13 P2
SMILES:O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O
InChi:InChI=1S/C16H26N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-8,10-11,14-15,23-25H,2-3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,6+,7+,8-,10-,11-,14-,15-/m1/s1
Definition date:2008-08-12
Last modified:2011-06-04
Identifier:(2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
HCZ
HCZ
Name:6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Formula:C7 H8 Cl N3 O4 S2
SMILES:O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
InChi:InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
Definition date:2009-08-06
Last modified:2011-06-04
Identifier:6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
SNH
SNH
Name:5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID
Formula:C19 H17 N O5 S3
SMILES:O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1C)C)c3sc(C(=O)C)cc3
InChi:InChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23)
Definition date:2005-10-06
Last modified:2011-06-04
Identifier:5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid
217
217
Name:(2S)-HEX-5-ENE-1,2-DIOL
Formula:C6 H12 O2
SMILES:OCC(O)CCC=C
InChi:InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1
Definition date:2006-03-03
Last modified:2011-06-04
Identifier:(2S)-hex-5-ene-1,2-diol
MO5
MO5
Name:MAGNESIUM ION, 5 WATERS COORDINATED
Formula:H10 Mg O5
SMILES:O|[Mg++](|O)(|O)(|O)|O
InChi:InChI=1/Mg.5H2O/h
Definition date:1999-07-08
Last modified:2008-10-14
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