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PDB Info pages Status search Chemie search: 53 results BIRD

EUG

EUG
Name:	2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
Formula:	C10 H12 O2
SMILES:	Oc1ccc(cc1OC)/C=C/C
InChi:	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
Synonyms:	Isoeugenol
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol

3P9

3P9
Name:	(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
Formula:	C9 H20 O4
SMILES:	O(C(CO)C)CC(OCC(O)C)C
InChi:	InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
Synonyms:	Polypropyleneglycol
Definition date:	2014-10-01
Last modified:	2020-06-17
Release date:	2015-07-07
Identifier:	(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol

LT7

LT7
Name:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
Formula:	C13 H17 N3 O
SMILES:	CC(C)NCc1onc(n1)c2ccc(C)cc2
InChi:	InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3
Definition date:	2019-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

O9J

O9J
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
Formula:	C19 H16 F N3 O3 S
SMILES:	c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3
InChi:	InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide

M6Z

M6Z
Name:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
Formula:	C9 H8 I N3 O
SMILES:	CNC(=O)c1n[nH]c2ccc(I)cc12
InChi:	InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide

OOY

OOY
Name:	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
Formula:	C27 H29 N3 O4
SMILES:	c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5
InChi:	InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)
Definition date:	2019-07-02
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide

JUN

JUN
Name:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
Formula:	C21 H20 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1
Definition date:	2019-03-29
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide

H5A

H5A
Name:	3,4,5-trimethoxybenzoic acid
Formula:	C10 H12 O5
SMILES:	c1(C(=O)O)cc(c(c(OC)c1)OC)OC
InChi:	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Definition date:	2018-06-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3,4,5-trimethoxybenzoic acid

8N3

8N3
Name:	(2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide
Formula:	C15 H23 N3 O3
SMILES:	CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO
InChi:	InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
Definition date:	2017-08-07
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide

6NU

6NU
Name:	(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid
Formula:	C19 H19 F2 N5 O2
SMILES:	CC1(CCC1)[CH](CC(O)=O)Nc2nc(ncc2F)c3c[nH]c4ncc(F)cc34
InChi:	InChI=1S/C19H19F2N5O2/c1-19(3-2-4-19)14(6-15(27)28)25-18-13(21)9-24-17(26-18)12-8-23-16-11(12)5-10(20)7-22-16/h5,7-9,14H,2-4,6H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-/m1/s1
Definition date:	2016-05-11
Last modified:	2017-05-12
Release date:	2017-05-17
Identifier:	(3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid

6G1

6G1
Name:	cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Formula:	C20 H25 N3 O3 S
SMILES:	C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChi:	InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2
Definition date:	2016-04-04
Last modified:	2016-10-14
Release date:	2016-10-19
Identifier:	cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone

H7Y

H7Y
Name:	ISOEUGENOL
Formula:	C10 H12 O2
SMILES:	COc1cc(C=CC)ccc1O
InChi:	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
Definition date:	2016-03-01
Last modified:	2016-07-22
Release date:	2016-07-27
Identifier:	2-methoxy-4-[(E)-prop-1-enyl]phenol

60Y

60Y
Name:	3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
Formula:	C22 H18 F N7 O S
SMILES:	c1ccc(C#N)cc1c5cc(C34CN(c2ncc(F)cn2)CC3C(=O)N(C)C(=N)N4)sc5
InChi:	InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1
Definition date:	2016-01-12
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile

SV7

SV7
Name:	phenylphosphonic acid
Formula:	C6 H7 O3 P
SMILES:	O=P(O)(O)c1ccccc1
InChi:	InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
Definition date:	2014-04-08
Last modified:	2015-04-24
Release date:	2015-04-29
Identifier:	phenylphosphonic acid

2J3

2J3
Name:	(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
Formula:	C9 H20 O4
SMILES:	O(C(CO)C)CC(OCC(O)C)C
InChi:	InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
Definition date:	2014-04-02
Last modified:	2014-12-05
Release date:	2014-12-10
Identifier:	(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol

JS3

JS3
Name:	2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
Formula:	C15 H11 Cl N2 O S
SMILES:	O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3
InChi:	InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
Definition date:	2013-04-08
Last modified:	2014-03-21
Release date:	2014-03-26
Identifier:	2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide

0YE

0YE
Name:	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
Formula:	C12 H11 N O3
SMILES:	O=C(O)CCc2onc(c1ccccc1)c2
InChi:	InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(13-16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
Definition date:	2012-09-13
Last modified:	2012-09-13
Identifier:	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid

O22

O22
Name:	4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
Formula:	C15 H15 N5 O2
SMILES:	O=C(N)c1ccc(cc1)Nc2nc(OCC)c(C#N)c(c2)N
InChi:	InChI=1S/C15H15N5O2/c1-2-22-15-11(8-16)12(17)7-13(20-15)19-10-5-3-9(4-6-10)14(18)21/h3-7H,2H2,1H3,(H2,18,21)(H3,17,19,20)
Definition date:	2012-04-17
Last modified:	2012-06-22
Identifier:	4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide

RZW

RZW
Name:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C14 H17 N O4
SMILES:	O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C
InChi:	InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

BMQ

BMQ
Name:	1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID
Formula:	C9 H13 N2 O10 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O
InChi:	InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
Definition date:	2000-03-02
Last modified:	2011-06-24
Identifier:	6-oxouridine 5'-(dihydrogen phosphate)

A47

A47
Name:	N6-METHOXY ADENOSINE 5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2ncnc1NOC)CC3O
InChi:	InChI=1S/C11H16N5O7P/c1-21-15-10-9-11(13-4-12-10)16(5-14-9)8-2-6(17)7(23-8)3-22-24(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	2000-02-16
Last modified:	2011-06-04
Identifier:	2'-deoxy-N-methoxyadenosine 5'-(dihydrogen phosphate)

XDI

XDI
Name:	4,4'-propane-2,2-diylbis(2,6-dibromophenol)
Formula:	C15 H12 Br4 O2
SMILES:	Brc1cc(cc(Br)c1O)C(c2cc(Br)c(O)c(Br)c2)(C)C
InChi:	InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
Definition date:	2010-09-13
Last modified:	2011-06-04
Identifier:	4,4'-propane-2,2-diylbis(2,6-dibromophenol)

AJD

AJD
Name:	5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid
Formula:	C12 H15 Br N2 O2
SMILES:	O=C(O)c2c(NC1CCCNC1)ccc(Br)c2
InChi:	InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1
Definition date:	2009-09-16
Last modified:	2011-06-04
Identifier:	5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid

AKD

AKD
Name:	5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate
Formula:	C12 H14 Br N2 O2
SMILES:	[O-]C(=O)c2c(NC1CCCNC1)ccc(Br)c2
InChi:	InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/p-1/t9-/m0/s1
Definition date:	2009-09-16
Last modified:	2011-06-04
Identifier:	5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate

AMH

AMH
Name:	TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Formula:	C8 H15 N O2
SMILES:	O=C(O)C1CCC(CN)CC1
InChi:	InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	trans-4-(aminomethyl)cyclohexanecarboxylic acid

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