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OJD

OJD
Name:	(4R)-4-(2-phenylethyl)pyrrolidin-2-one
Formula:	C12 H15 N O
SMILES:	O=C2NCC(CCc1ccccc1)C2
InChi:	InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1
Definition date:	2015-01-22
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	(4R)-4-(2-phenylethyl)pyrrolidin-2-one

OMA

OMA
Name:	10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid
Formula:	C19 H34 O2
SMILES:	O=C(O)CCCCCCCCCC1CC1C/C=C/CCC
InChi:	InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1
Definition date:	2014-05-07
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid

3R4

3R4
Name:	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
Formula:	C9 H4 Cl F O2 S
SMILES:	O=C(O)c2sc1cc(F)ccc1c2Cl
InChi:	InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3R6

3R6
Name:	2-hydroxy-5-(methylsulfanyl)benzoic acid
Formula:	C8 H8 O3 S
SMILES:	O=C(O)c1cc(SC)ccc1O
InChi:	InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-hydroxy-5-(methylsulfanyl)benzoic acid

3R7

3R7
Name:	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
Formula:	C15 H13 N O4 S
SMILES:	O=S(=O)(Nc1cc(/C=C)ccc1C(=O)O)c2ccccc2
InChi:	InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid

3SG

3SG
Name:	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
Formula:	C28 H22 F2 N4 O4
SMILES:	Fc4c(NC(=O)c3ccc(c(c2cccc(C(=O)Nc1cc(C(=O)OC)ccc1F)c2)c3)CN)ccnc4
InChi:	InChI=1S/C28H22F2N4O4/c1-38-28(37)19-7-8-22(29)25(13-19)34-26(35)17-4-2-3-16(11-17)21-12-18(5-6-20(21)14-31)27(36)33-24-9-10-32-15-23(24)30/h2-13,15H,14,31H2,1H3,(H,34,35)(H,32,33,36)
Definition date:	2014-10-17
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate

0DA

0DA
Name:	2'-DEOXY-L-RIBO-FURANOSYL ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m1/s1
Definition date:	2009-07-27
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine

4VP

4VP
Name:	4-ethenylphenol
Formula:	C8 H8 O
SMILES:	Oc1ccc(C=C)cc1
InChi:	InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
Definition date:	2015-01-29
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	4-ethenylphenol

499

499
Name:	5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
Formula:	C17 H12 N6 O
SMILES:	n1nc(oc1c4cnc5ncc(c3c2ccccc2nc3)cc45)N
InChi:	InChI=1S/C17H12N6O/c18-17-23-22-16(24-17)13-8-21-15-11(13)5-9(6-20-15)12-7-19-14-4-2-1-3-10(12)14/h1-8,19H,(H2,18,23)(H,20,21)
Definition date:	2015-02-16
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine

49B

49B
Name:	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione
Formula:	C16 H11 N5 O S
SMILES:	S=C1OC(=NN1)c4c(ncc(c2cc3ccccc3nc2)c4)N
InChi:	InChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23)
Definition date:	2015-02-16
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione

49G

49G
Name:	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Formula:	C13 H17 N3
SMILES:	n1c(ccn1C)CNCCc2ccccc2
InChi:	InChI=1S/C13H17N3/c1-16-10-8-13(15-16)11-14-9-7-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11H2,1H3
Definition date:	2015-02-17
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine

49N

49N
Name:	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 F3 N3
SMILES:	FC(F)(F)c1c(nccc1)N2CCNCC2
InChi:	InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
Definition date:	2015-02-18
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine

49O

49O
Name:	2-(piperazin-1-yl)pyridine-3-carbonitrile
Formula:	C10 H12 N4
SMILES:	N#Cc1c(nccc1)N2CCNCC2
InChi:	InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
Definition date:	2015-02-18
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-(piperazin-1-yl)pyridine-3-carbonitrile

49P

49P
Name:	1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
Formula:	C10 H7 F3 N2 O
SMILES:	FC(F)(F)c1cccc(c1)n2ncc(O)c2
InChi:	InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H
Definition date:	2015-02-18
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol

49Q

49Q
Name:	3-[4-(benzyloxy)phenyl]propan-1-ol
Formula:	C16 H18 O2
SMILES:	O(c1ccc(cc1)CCCO)Cc2ccccc2
InChi:	InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
Definition date:	2015-02-18
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	3-[4-(benzyloxy)phenyl]propan-1-ol

49R

49R
Name:	tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
Formula:	C14 H20 N2 O2
SMILES:	O=C(OC(C)(C)C)NC2Cc1c(cccc1)NC2
InChi:	InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1
Definition date:	2015-02-18
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate

49Z

49Z
Name:	2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
Formula:	C14 H16 F N S
SMILES:	Fc1ccccc1CCNCc2sc(cc2)C
InChi:	InChI=1S/C14H16FNS/c1-11-6-7-13(17-11)10-16-9-8-12-4-2-3-5-14(12)15/h2-7,16H,8-10H2,1H3
Definition date:	2015-02-19
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

4A0

4A0
Name:	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol
Formula:	C19 H27 N O
SMILES:	Oc1ccccc1CNCCC24CC3CC(CC(C2)C3)C4
InChi:	InChI=1S/C19H27NO/c21-18-4-2-1-3-17(18)13-20-6-5-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16,20-21H,5-13H2/t14-,15+,16-,19+
Definition date:	2015-02-19
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol

4A5

4A5
Name:	(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Formula:	C8 H9 Br N2 O2
SMILES:	O=C(O)Cn1nc(c(Br)c1)C2CC2
InChi:	InChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
Definition date:	2015-02-19
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid

4F2

4F2
Name:	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
Formula:	C22 H32 N6 O2
SMILES:	C1CC(CCC1Nc4nc3c(C=CC(=O)N3C2CCCC2)cn4)NC(NC(C)C)=O
InChi:	InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-
Definition date:	2015-03-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea

4FT

4FT
Name:	phthalazine
Formula:	C8 H6 N2
SMILES:	c2c1ccccc1cnn2
InChi:	InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
Definition date:	2015-03-17
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	phthalazine

4K4

4K4
Name:	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C31 H38 N8 O3
SMILES:	c23N(c1c(cccc1)C(=O)N(c2cnc(n3)Nc6c(cc(C(N5CCC(N4CCN(C)CC4)CC5)=O)cc6)OC)C)C
InChi:	InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
Definition date:	2015-03-25
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

4K5

4K5
Name:	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
Formula:	C20 H21 F4 N5 O3
SMILES:	c1(nc(ncc1C(F)(F)F)Nc2c(cc(c(c2)F)C(=O)N3CCOCC3)OC)NC4CC4
InChi:	InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28)
Definition date:	2015-03-25
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone

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

3X6

3X6
Name:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Formula:	C21 H16 Cl N3 O4
SMILES:	N#CC=Cc3cc(Oc2ccccc2OCCN1C=CC(=O)NC1=O)cc(Cl)c3
InChi:	InChI=1S/C21H16ClN3O4/c22-16-12-15(4-3-8-23)13-17(14-16)29-19-6-2-1-5-18(19)28-11-10-25-9-7-20(26)24-21(25)27/h1-7,9,12-14H,10-11H2,(H,24,26,27)/b4-3+
Definition date:	2014-12-02
Last modified:	2015-04-24
Release date:	2015-04-29
Identifier:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

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