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AW7

AW7
Name:	2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine
Formula:	C13 H10 N4 O
SMILES:	[nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine

AWA

AWA
Name:	(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid
Formula:	C12 H12 N2 O4
SMILES:	COc1ccc(cc1)[CH]2CC(=NC(=O)N2)C(O)=O
InChi:	InChI=1S/C12H12N2O4/c1-18-8-4-2-7(3-5-8)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)/t9-/m1/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid

AWD

AWD
Name:	~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
Formula:	C12 H16 F N3 O
SMILES:	CN1CCN(CC1)C(=O)Nc2ccc(F)cc2
InChi:	InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide

AWG

AWG
Name:	~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine
Formula:	C13 H12 N4
SMILES:	Nc1ccccc1Nc2[nH]c3ccccc3n2
InChi:	InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine

AWM

AWM
Name:	2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
Formula:	C12 H15 N3 S
SMILES:	CN1CCN(CC1)c2sc3ccccc3n2
InChi:	InChI=1S/C12H15N3S/c1-14-6-8-15(9-7-14)12-13-10-4-2-3-5-11(10)16-12/h2-5H,6-9H2,1H3
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-(4-methylpiperazin-1-yl)-1,3-benzothiazole

AWP

AWP
Name:	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
Formula:	C14 H21 N3 O
SMILES:	O=C(NCCc1ccncc1)NC2CCCCC2
InChi:	InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

AWS

AWS
Name:	8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one
Formula:	C13 H15 N O3
SMILES:	CN(C)Cc1c(O)ccc2C(=CC(=O)Oc12)C
InChi:	InChI=1S/C13H15NO3/c1-8-6-12(16)17-13-9(8)4-5-11(15)10(13)7-14(2)3/h4-6,15H,7H2,1-3H3
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one

AWV

AWV
Name:	3-(azepan-1-ylmethyl)-1~{H}-indole
Formula:	C15 H20 N2
SMILES:	C1CCCN(CC1)Cc2c[nH]c3ccccc23
InChi:	InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3-(azepan-1-ylmethyl)-1~{H}-indole

AWY

AWY
Name:	~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
Formula:	C15 H17 N O2
SMILES:	COc1ccc2cccc(CCNC(C)=O)c2c1
InChi:	InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide

AXG

AXG
Name:	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
Formula:	C16 H20 N2
SMILES:	C1CN(CCC1n2cccc2)Cc3ccccc3
InChi:	InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine

AXJ

AXJ
Name:	[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
Formula:	C15 H25 N O
SMILES:	CC1(C)[CH]2CC=C(CN3CCC[CH]3CO)[CH]1C2
InChi:	InChI=1S/C15H25NO/c1-15(2)12-6-5-11(14(15)8-12)9-16-7-3-4-13(16)10-17/h5,12-14,17H,3-4,6-10H2,1-2H3/t12-,13+,14-/m0/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol

AXS

AXS
Name:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
Formula:	C12 H16 F N O
SMILES:	Fc1ccc(CNC[CH]2CCCO2)cc1
InChi:	InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine

AXV

AXV
Name:	1~{H}-benzimidazol-2-ylcyanamide
Formula:	C8 H6 N4
SMILES:	N#CNc1[nH]c2ccccc2n1
InChi:	InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1~{H}-benzimidazol-2-ylcyanamide

AYS

AYS
Name:	2-[(4-chlorophenyl)amino]benzamide
Formula:	C13 H11 Cl N2 O
SMILES:	NC(=O)c1ccccc1Nc2ccc(Cl)cc2
InChi:	InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[(4-chlorophenyl)amino]benzamide

AYV

AYV
Name:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
Formula:	C11 H16 N2 O3
SMILES:	CC(CO)(CO)NC(=O)Nc1ccccc1
InChi:	InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

B0A

B0A
Name:	~{N}-cyclohexyl-2-phenoxy-ethanamide
Formula:	C14 H19 N O2
SMILES:	O=C(COc1ccccc1)NC2CCCCC2
InChi:	InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-cyclohexyl-2-phenoxy-ethanamide

B0G

B0G
Name:	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
Formula:	C13 H17 N O3
SMILES:	OC1CCN(CC1)C(=O)OCc2ccccc2
InChi:	InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate

B0J

B0J
Name:	4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol
Formula:	C14 H21 N O2
SMILES:	CC1(C)C[CH](CCO1)NCc2ccc(O)cc2
InChi:	InChI=1S/C14H21NO2/c1-14(2)9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h3-6,12,15-16H,7-10H2,1-2H3/t12-/m0/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol

B0M

B0M
Name:	1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
Formula:	C14 H17 N3 O
SMILES:	CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2
InChi:	InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone

B0V

B0V
Name:	2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide
Formula:	C12 H17 N O2
SMILES:	COCC(=O)Nc1c(C)cc(C)cc1C
InChi:	InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

B0Y

B0Y
Name:	5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
Formula:	C12 H15 N3 O S
SMILES:	CCc1sc(cc1)C(=O)NCc2cnn(C)c2
InChi:	InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

B1J

B1J
Name:	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
Formula:	C9 H8 Cl N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)cc2
InChi:	InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol

DUK

DUK
Name:	(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
Formula:	C14 H12 Cl N5 O2 S
SMILES:	O=C(N)C(C)SC3=Nc2n(c1cccc(c1)Cl)ncc2C(N3)=O
InChi:	InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)/t7-/m1/s1
Definition date:	2017-04-24
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide

DWT

DWT
Name:	4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C26 H20 F3 N7 O
SMILES:	Cn1cc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc2n1)c5cccnc5
InChi:	InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)
Definition date:	2018-02-05
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide

DXH

DXH
Name:	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C26 H20 F3 N7 O
SMILES:	Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cccnc5
InChi:	InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)
Definition date:	2018-02-05
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide

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