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PDB Info pages Status search Chemie search: 42 results BIRD

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

8E7

8E7
Name:	2-(decylamino)ethane-1-thiol
Formula:	C12 H27 N S
SMILES:	CCCCCCCCCCNCCS
InChi:	InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3
Definition date:	2017-01-27
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	2-(decylamino)ethane-1-thiol

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

2EX

2EX
Name:	(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one
Formula:	C20 H19 F N4 O3
SMILES:	Fc1ncccc1c5cc3c(OC4C(C32N=C(N)N(C2=O)C)COCC4)cc5
InChi:	InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1
Definition date:	2013-10-02
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one

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

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)

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

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

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

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

224201

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