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4AJ

4AJ
Name:	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Formula:	C14 H8 Cl2 N2 O3
SMILES:	Clc3c(O)c(Cl)cc(c1nnc(o1)c2cccc(O)c2)c3
InChi:	InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-2-1-3-9(19)4-7/h1-6,19-20H
Definition date:	2015-02-20
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

4B8

4B8
Name:	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Formula:	C14 H8 Cl2 N2 O3
SMILES:	Clc3c(O)c(Cl)cc(c1nnc(o1)c2ccc(O)cc2)c3
InChi:	InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-1-3-9(19)4-2-7/h1-6,19-20H
Definition date:	2015-02-25
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

4DV

4DV
Name:	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid
Formula:	C34 H31 Cl F N O2
SMILES:	O=C(O)C(Cc5n(Cc1ccc(Cl)cc1)c2c(cc(cc2)c3ccc(c(c3)F)c4ccccc4C)c5C)(C)C
InChi:	InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
Definition date:	2015-03-04
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid

G61

G61
Name:	tert-butyl [(2S,3R)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
Formula:	C34 H46 N2 O8 S
SMILES:	O(C)c1ccc(cc1)S(=O)(=O)N(CC(C(Cc2cc(ccc2)c3cc(cc(c3)OC)OC)NC(=O)OC(C)(C)C)O)CC(C)C
InChi:	InChI=1S/C34H46N2O8S/c1-23(2)21-36(45(39,40)30-14-12-27(41-6)13-15-30)22-32(37)31(35-33(38)44-34(3,4)5)17-24-10-9-11-25(16-24)26-18-28(42-7)20-29(19-26)43-8/h9-16,18-20,23,31-32,37H,17,21-22H2,1-8H3,(H,35,38)/t31-,32+/m0/s1
Definition date:	2015-05-04
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	tert-butyl [(2S,3R)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate

G64

G64
Name:	N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide
Formula:	C37 H46 N4 O7 S
SMILES:	c4(ccc(S(=O)(N(CC(O)C(NC(=O)c1cc(C)cc(c1)C(=O)N(C)Cc2nc(oc2C)C)Cc3ccccc3)CC(C)C)=O)cc4)OC
InChi:	InChI=1S/C37H46N4O7S/c1-24(2)21-41(49(45,46)32-15-13-31(47-7)14-16-32)23-35(42)33(19-28-11-9-8-10-12-28)39-36(43)29-17-25(3)18-30(20-29)37(44)40(6)22-34-26(4)48-27(5)38-34/h8-18,20,24,33,35,42H,19,21-23H2,1-7H3,(H,39,43)/t33-,35+/m0/s1
Definition date:	2015-04-28
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide

3VS

3VS
Name:	4-(1H-imidazol-1-yl)benzamide
Formula:	C10 H9 N3 O
SMILES:	O=C(c1ccc(cc1)n2ccnc2)N
InChi:	InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)
Definition date:	2014-11-18
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	4-(1H-imidazol-1-yl)benzamide

3VW

3VW
Name:	phenyl(piperidin-4-yl)methanone
Formula:	C12 H15 N O
SMILES:	O=C(c1ccccc1)C2CCNCC2
InChi:	InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11,13H,6-9H2
Definition date:	2014-11-20
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	phenyl(piperidin-4-yl)methanone

3VX

3VX
Name:	N-(1-oxo-1H-inden-5-yl)acetamide
Formula:	C11 H9 N O2
SMILES:	O=C(Nc1cc2c(cc1)C(=O)C=C2)C
InChi:	InChI=1S/C11H9NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h2-6H,1H3,(H,12,13)
Definition date:	2014-11-21
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	N-(1-oxo-1H-inden-5-yl)acetamide

3W1

3W1
Name:	1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
Formula:	C11 H12 Cl N3
SMILES:	Clc1cn(nc1)Cc2ccc(cc2)CN
InChi:	InChI=1S/C11H12ClN3/c12-11-6-14-15(8-11)7-10-3-1-9(5-13)2-4-10/h1-4,6,8H,5,7,13H2
Definition date:	2014-11-21
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine

40N

40N
Name:	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Formula:	C16 H10 F N O3
SMILES:	Fc4ccccc4C=3Nc2cc1OCOc1cc2C(=O)C=3
InChi:	InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
Definition date:	2015-01-05
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one

40V

40V
Name:	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Formula:	C28 H32 N4 O5
SMILES:	[O-][N+](=O)c1cc(c(O)c2ncccc12)C(=O)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5
InChi:	InChI=1S/C28H32N4O5/c1-37-13-12-31(28(34)24-16-25(32(35)36)23-9-4-10-29-26(23)27(24)33)18-19-6-5-11-30(17-19)22-14-20-7-2-3-8-21(20)15-22/h2-4,7-10,16,19,22,33H,5-6,11-15,17-18H2,1H3/t19-/m1/s1
Definition date:	2015-01-08
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

T40

T40
Name:	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
Formula:	C21 H23 N3 O
SMILES:	O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCNCC3)C
InChi:	InChI=1S/C21H23N3O/c1-15-3-2-4-18-19(15)13-20(23-21(18)25)17-7-5-16(6-8-17)14-24-11-9-22-10-12-24/h2-8,13,22H,9-12,14H2,1H3,(H,23,25)
Definition date:	2014-07-28
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one

N1P

N1P
Name:	1-nitropropane
Formula:	C3 H7 N O2
SMILES:	[O-][N+](=O)CCC
InChi:	InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
Definition date:	2014-06-10
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	1-nitropropane

37Z

37Z
Name:	sym-homospermidine
Formula:	C8 H21 N3
SMILES:	NCCCCNCCCCN
InChi:	InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
Definition date:	2014-07-02
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	N-(4-aminobutyl)butane-1,4-diamine

3DN

3DN
Name:	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one
Formula:	C24 H29 N3 O
SMILES:	O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCC(N(C)C)CC3)C
InChi:	InChI=1S/C24H29N3O/c1-17-5-4-6-21-22(17)15-23(25-24(21)28)19-9-7-18(8-10-19)16-27-13-11-20(12-14-27)26(2)3/h4-10,15,20H,11-14,16H2,1-3H3,(H,25,28)
Definition date:	2014-07-29
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one

3QL

3QL
Name:	N-[(1R,2S,3R,4R,5R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
Formula:	C16 H26 N2 O10
SMILES:	O=C(NC3C(O)C(O)C(OC3OC1C(O)C(NC(=O)C)C2OC1CO2)CO)C
InChi:	InChI=1S/C16H26N2O10/c1-5(20)17-9-12(23)11(22)7(3-19)26-16(9)28-14-8-4-25-15(27-8)10(13(14)24)18-6(2)21/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1
Definition date:	2014-10-08
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	N-[(1R,2S,3R,4R,5R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)

4U9

4U9
Name:	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine
Formula:	C23 H11 Br Cl F4 N3
SMILES:	C(c3ncc(c2nc(c1c(Cl)cccc1F)nc2Br)cc3)#Cc4ccc(cc4)C(F)(F)F
InChi:	InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)
Definition date:	2015-05-27
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine

3TV

3TV
Name:	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
Formula:	C9 H9 F4 N O2 S2
SMILES:	O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N
InChi:	InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
Definition date:	2014-10-24
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide

3UF

3UF
Name:	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
Formula:	C8 H11 N O3 S2
SMILES:	O=S(=O)(c1ccc(SCCO)cc1)N
InChi:	InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
Definition date:	2014-11-03
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide

3UG

3UG
Name:	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
Formula:	C11 H12 F4 N2 O2 S
SMILES:	O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2
InChi:	InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)
Definition date:	2014-11-03
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide

XZ8

XZ8
Name:	4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Formula:	C14 H13 N3 O2
SMILES:	O=C(n2cc(C=1C(=O)NNC=1C)c3ccccc23)C
InChi:	InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
Definition date:	2014-06-19
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

3UQ

3UQ
Name:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)
Formula:	C15 H13 Ru
SMILES:	[Ru+]%11674389%10%116c%12c8c9c%10c%11%13c6%12cccc%13
InChi:	InChI=1S/C10H8.C5H5.Ru/c1-2-6-10-8-4-3-7-9(10)5-1
Definition date:	2014-11-05
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)

VD9

VD9
Name:	4-(propylsulfanyl)benzenesulfonamide
Formula:	C9 H13 N O2 S2
SMILES:	O=S(=O)(c1ccc(SCCC)cc1)N
InChi:	InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
Definition date:	2014-11-10
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-(propylsulfanyl)benzenesulfonamide

43O

43O
Name:	N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide
Formula:	C14 H18 N2 O3
SMILES:	O=C(NCCc2c1cc(O)ccc1nc2C)COC
InChi:	InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)
Definition date:	2015-01-29
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide

775

775
Name:	2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C17 H16 Cl N5 O
SMILES:	CCCC=1Nc2n(C(C=1)=O)nc(c2C#N)NCc3ccc(Cl)cc3
InChi:	InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
Definition date:	2015-06-08
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

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