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PDB Info pages Status search Chemie search: 2028 results BIRD

FQM

FQM
Name:	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
Formula:	C22 H17 Cl N6 O2
SMILES:	c1ccc(cc1)n2c(cc(C(=O)N)n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O
InChi:	InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)
Definition date:	2018-04-13
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide

8FC

8FC
Name:	~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
Formula:	C21 H25 N3 O3 S
SMILES:	CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13
InChi:	InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3
Definition date:	2017-06-23
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide

CWY

CWY
Name:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Formula:	C16 H18 N2 O6
SMILES:	OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
InChi:	InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
Definition date:	2017-10-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

9AY

9AY
Name:	4-methylbenzene-1,2-diamine
Formula:	C7 H10 N2
SMILES:	c1cc(C)cc(c1N)N
InChi:	InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
Definition date:	2017-04-14
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	4-methylbenzene-1,2-diamine

FBS

FBS
Name:	4-FLUOROBENZENESULFONAMIDE
Formula:	C6 H6 F N O2 S
SMILES:	c1(ccc(cc1)S(=O)(=O)N)F
InChi:	InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Definition date:	2001-04-13
Last modified:	2018-04-18
Identifier:	4-fluorobenzene-1-sulfonamide

N2B

N2B
Name:	ETHYLBENZENE
Formula:	C8 H10
SMILES:	c1(ccccc1)CC
InChi:	InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Definition date:	1999-07-08
Last modified:	2018-04-17
Identifier:	ethylbenzene

D57

D57
Name:	dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
Formula:	C22 H22 N2 O6
SMILES:	COC(c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3)=O
InChi:	InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3
Definition date:	2017-10-18
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate

EQD

EQD
Name:	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
Formula:	C18 H16 Cl2 N2 O2
SMILES:	c3(Cl)c(CCc1n(ccn1)Cc2ccccc2)c(Cl)c(cc3O)O
InChi:	InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2
Definition date:	2018-01-26
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol

HV9

HV9
Name:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
Formula:	C18 H20 F3 N5 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3
InChi:	InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)
Definition date:	2017-04-20
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide

CV4

CV4
Name:	N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
Formula:	C18 H16 F3 N5 O2 S
SMILES:	c1(cc(S(NC)(=O)=O)ccc1)Nc3cc(Nc2ccc(cc2)C(F)(F)F)ncn3
InChi:	InChI=1S/C18H16F3N5O2S/c1-22-29(27,28)15-4-2-3-14(9-15)26-17-10-16(23-11-24-17)25-13-7-5-12(6-8-13)18(19,20)21/h2-11,22H,1H3,(H2,23,24,25,26)
Definition date:	2017-10-03
Last modified:	2018-03-29
Release date:	2018-04-04
Identifier:	N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide

8G0

8G0
Name:	benzene-1,3-dicarboxylic acid
Formula:	C8 H6 O4
SMILES:	OC(=O)c1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Definition date:	2017-06-30
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	benzene-1,3-dicarboxylic acid

8ZV

8ZV
Name:	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Formula:	C28 H38 N2 O9 S
SMILES:	C(CNC(c1cc(cc(OCCOC)c1)OCCOC)=O)OC(C2CCCCN2S(Cc3ccccc3)(=O)=O)=O
InChi:	InChI=1S/C28H38N2O9S/c1-35-14-16-37-24-18-23(19-25(20-24)38-17-15-36-2)27(31)29-11-13-39-28(32)26-10-6-7-12-30(26)40(33,34)21-22-8-4-3-5-9-22/h3-5,8-9,18-20,26H,6-7,10-17,21H2,1-2H3,(H,29,31)/t26-/m0/s1
Definition date:	2017-03-23
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate

8Z5

8Z5
Name:	Alpha-Bromo-3-Iodotoluene
Formula:	C7 H6 Br I
SMILES:	BrCc1cccc(I)c1
InChi:	InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
Definition date:	2017-03-28
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	1-(bromomethyl)-3-iodanyl-benzene

UWX

UWX
Name:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
Formula:	C24 H30 N4 O5 S
SMILES:	CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCOCC4
InChi:	InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3
Definition date:	2017-01-18
Last modified:	2018-02-09
Release date:	2018-02-14
Identifier:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide

DYV

DYV
Name:	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline
Formula:	C29 H24 Cl N5 O6
SMILES:	c1ccc2c(c1)n5c(N(C2=O)Cc3c(cc(cc3)C(=O)N4CCCC4C(O)=O)Cl)nnc5c6cccc(c6O)OC
InChi:	InChI=1S/C29H24ClN5O6/c1-41-23-10-4-7-19(24(23)36)25-31-32-29-34(27(38)18-6-2-3-8-21(18)35(25)29)15-17-12-11-16(14-20(17)30)26(37)33-13-5-9-22(33)28(39)40/h2-4,6-8,10-12,14,22,36H,5,9,13,15H2,1H3,(H,39,40)/t22-/m0/s1
Definition date:	2017-11-17
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline

9DE

9DE
Name:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
Formula:	C12 H11 Br N2 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(N[S](=O)(=O)c2ccc(Br)cc2)cc1
InChi:	InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
Definition date:	2017-05-10
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide

9E4

9E4
Name:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
Formula:	C20 H22 N6 O3
SMILES:	n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(C(=O)NC)ccc2OC)n3
InChi:	InChI=1S/C20H22N6O3/c1-12(2)26-11-22-25-18(26)15-6-5-7-17(23-15)24-20(28)14-10-13(19(27)21-3)8-9-16(14)29-4/h5-12H,1-4H3,(H,21,27)(H,23,24,28)
Definition date:	2017-04-21
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide

9HK

9HK
Name:	4-[(4-nitrophenyl)methyl]benzenesulfonamide
Formula:	C13 H12 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1
InChi:	InChI=1S/C13H12N2O4S/c14-20(18,19)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
Definition date:	2017-05-20
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-nitrophenyl)methyl]benzenesulfonamide

7Y9

7Y9
Name:	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
Formula:	C30 H30 N2 O3
SMILES:	CC(C)(c1ccc(O)cc1)c2ccc(OCc3cccc(COc4ccc(cc4)C(N)=N)c3)cc2
InChi:	InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)
Definition date:	2017-02-09
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide

GY6

GY6
Name:	2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:	C24 H22 Cl2 N4 O4
SMILES:	C2(=NC(C(=O)NCCc1ccccc1)=C(O)C(N2)=O)C3CCCN3C(c4c(cccc4Cl)Cl)=O
InChi:	InChI=1S/C24H22Cl2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Definition date:	2017-06-12
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

7Z0

7Z0
Name:	N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
Formula:	C21 H13 Br F2 N4 O3 S
SMILES:	COc1n[nH]c2ncc(cc12)C#Cc3c(F)ccc(N[S](=O)(=O)c4cccc(Br)c4)c3F
InChi:	InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)
Definition date:	2017-02-21
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	~{N}-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide

8GE

8GE
Name:	4-(1~{H}-indol-2-yl)benzenesulfonamide
Formula:	C14 H12 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2
InChi:	InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(1~{H}-indol-2-yl)benzenesulfonamide

8GH

8GH
Name:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
Formula:	C16 H15 N3 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
InChi:	InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

8HE

8HE
Name:	4-(4-cyanophenyl)benzenesulfonamide
Formula:	C13 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)C#N
InChi:	InChI=1S/C13H10N2O2S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8H,(H2,15,16,17)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(4-cyanophenyl)benzenesulfonamide

8HK

8HK
Name:	4-pyridin-3-ylbenzenesulfonamide
Formula:	C11 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2cccnc2
InChi:	InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-pyridin-3-ylbenzenesulfonamide

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