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AFM

AFM
Name:	2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide
Formula:	C24 H25 F N6 O2
SMILES:	c4(OCC1C(CCNC1)c2ccc(c(c2)C(NCc3nncc3)=O)F)cc5c(cc4)nnc5
InChi:	InChI=1S/C24H25FN6O2/c25-22-3-1-15(10-21(22)24(32)27-13-18-5-8-28-30-18)20-6-7-26-11-17(20)14-33-19-2-4-23-16(9-19)12-29-31-23/h1-5,8-10,12,17,20,26H,6-7,11,13-14H2,(H,27,32)(H,28,30)(H,29,31)/t17-,20-/m0/s1
Definition date:	2017-07-16
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide

AFV

AFV
Name:	2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide
Formula:	C26 H26 F N5 O2
SMILES:	c1(c(cc(cc1)C4C(COc3cc2c(nnc2)cc3)CNCC4)C(=O)NCc5ncccc5)F
InChi:	InChI=1S/C26H26FN5O2/c27-24-6-4-17(12-23(24)26(33)30-15-20-3-1-2-9-29-20)22-8-10-28-13-19(22)16-34-21-5-7-25-18(11-21)14-31-32-25/h1-7,9,11-12,14,19,22,28H,8,10,13,15-16H2,(H,30,33)(H,31,32)/t19-,22-/m0/s1
Definition date:	2017-07-16
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide

9WA

9WA
Name:	(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
Formula:	C31 H24 Cl F3 N6 O2
SMILES:	c1cc4c(cc1C(c2ccc(nc2)C(F)(F)F)(c3cncn3C)O)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl
InChi:	InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3/t30-/m1/s1
Definition date:	2017-06-16
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol

9WD

9WD
Name:	1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
Formula:	C32 H33 Cl N6 O3
SMILES:	c4(c(OC)nc3ccc(C(c1cncn1C)(O)C2CCN(C(C)=O)CC2)cc3c4Cl)Cc6ccc(n5nccc5)cc6
InChi:	InChI=1S/C32H33ClN6O3/c1-21(40)38-15-11-23(12-16-38)32(41,29-19-34-20-37(29)2)24-7-10-28-26(18-24)30(33)27(31(36-28)42-3)17-22-5-8-25(9-6-22)39-14-4-13-35-39/h4-10,13-14,18-20,23,41H,11-12,15-17H2,1-3H3/t32-/m1/s1
Definition date:	2017-06-16
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one

9YE

9YE
Name:	4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula:	C23 H25 N O3
SMILES:	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C(C)C)c4c13
InChi:	InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3
Definition date:	2017-08-02
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

9AG

9AG
Name:	N-methyl-1-(4-phenoxyphenyl)methanamine
Formula:	C14 H15 N O
SMILES:	c2cccc(Oc1ccc(CNC)cc1)c2
InChi:	InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
Definition date:	2017-04-13
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	N-methyl-1-(4-phenoxyphenyl)methanamine

C82

C82
Name:	~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine
Formula:	C8 H7 Cl N4
SMILES:	Clc1ccc(Nc2[nH]nnc2)cc1
InChi:	InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
Definition date:	2017-11-17
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine

CJD

CJD
Name:	5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Formula:	C22 H24 Cl2 N2 O5
SMILES:	c12c(cc(c(c1C(=O)N(CC2)CC3=C(C=C(C)NC3=O)OC)Cl)C(C4COC4)OC)Cl
InChi:	InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1
Definition date:	2017-09-26
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one

CJG

CJG
Name:	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Formula:	C22 H21 Cl2 N3 O3
SMILES:	c1(cc(c(c2c1CCN(C2=O)CC3=C(C=C(C)NC3=O)C)Cl)c4c(noc4C)C)Cl
InChi:	InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
Definition date:	2017-09-26
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one

CJM

CJM
Name:	2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
Formula:	C22 H26 F2 N8 O
SMILES:	CCn3c2nc(N1CCCCC1CCO)nc(c2nc3)NCc5nc4c(c(ccc4n5)F)F
InChi:	InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1
Definition date:	2017-09-26
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol

CW4

CW4
Name:	(4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
Formula:	C16 H16 N2 O2
SMILES:	c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3[C@H]=C
InChi:	InChI=1S/C16H16N2O2/c1-4-11-9-17-10-18(11)14-12-7-5-6-8-13(12)15(19)20-16(14,2)3/h4-10,14H,1H2,2-3H3/t14-/m1/s1
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	(4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one

CWA

CWA
Name:	(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
Formula:	C15 H14 F2 N2 O2
SMILES:	c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3C(F)F
InChi:	InChI=1S/C15H14F2N2O2/c1-15(2)12(19-8-18-7-11(19)13(16)17)9-5-3-4-6-10(9)14(20)21-15/h3-8,12-13H,1-2H3/t12-/m1/s1
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one

CWG

CWG
Name:	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
Formula:	C13 H13 Cl N2 O
SMILES:	c1(c(C)c(c(OC)nn1)C)c2ccc(cc2)Cl
InChi:	InChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine

CWJ

CWJ
Name:	5-methoxy-2-methyl-1H-indole
Formula:	C10 H11 N O
SMILES:	c12ccc(cc1cc(C)n2)OC
InChi:	InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	5-methoxy-2-methyl-1H-indole

CWM

CWM
Name:	2-methyl-1H-benzimidazol-7-ol
Formula:	C8 H8 N2 O
SMILES:	c1c(O)c2nc(C)nc2cc1
InChi:	InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-methyl-1H-benzimidazol-7-ol

CWP

CWP
Name:	N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine
Formula:	C13 H16 N6
SMILES:	c1(nc2c(n1)ccc(C)n2)NCc3cc(C)nn3C
InChi:	InChI=1S/C13H16N6/c1-8-4-5-11-12(15-8)17-13(16-11)14-7-10-6-9(2)18-19(10)3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)
Definition date:	2017-10-05
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine

C2J

C2J
Name:	N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide
Formula:	C17 H15 N3 O2
SMILES:	c1(ccc(cc1)c4ccc3c(NC(C2CC2)=O)nnc3c4)O
InChi:	InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)
Definition date:	2017-09-11
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide

C5Z

C5Z
Name:	methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate
Formula:	C26 H30 N6 O4
SMILES:	COC(=O)c1cc(cnc1OC)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4
InChi:	InChI=1S/C26H30N6O4/c1-16(2)32-7-5-31(6-8-32)15-19-13-28-25(36-19)20-9-17(11-23-22(20)14-29-30-23)18-10-21(26(33)35-4)24(34-3)27-12-18/h9-14,16H,5-8,15H2,1-4H3,(H,29,30)
Definition date:	2017-11-14
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate

60L

60L
Name:	~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Formula:	C12 H13 N S
SMILES:	CNCc1cccc(c1)c2sccc2
InChi:	InChI=1S/C12H13NS/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3
Definition date:	2016-01-10
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine

AOJ

AOJ
Name:	(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Formula:	C12 H9 F N2 O2
SMILES:	N1C(=O)CC(C1=O)c3cnc2c3cc(cc2)F
InChi:	InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1
Definition date:	2017-07-20
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

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

XGH

XGH
Name:	2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
Formula:	C23 H23 F7 N2 O5 S2
SMILES:	FC(F)(F)C(c1ccc2c(c1)SC(CN2S(=O)(=O)c3ccc(cc3)F)CC(NCC(C)(C)O)=O)(O)C(F)(F)F
InChi:	InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-32(39(36,37)16-6-4-14(24)5-7-16)17-8-3-13(9-18(17)38-15)21(35,22(25,26)27)23(28,29)30/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)/t15-/m0/s1
Definition date:	2017-11-17
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

WZO

WZO
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
Formula:	C12 H21 N5 O13 P3 S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N
InChi:	InChI=1S/C12H20N5O13P3S/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1
Definition date:	2016-10-28
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate

YDZ

YDZ
Name:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C22 H32 N10 O16 P3 S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)O[CH]1n5c[n+](C)c6c(O)nc(N)nc56
InChi:	InChI=1S/C22H31N10O16P3S/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)21-15(42-2)13(34)9(46-21)4-44-50(39,40)48-51(41,52)47-49(37,38)43-3-8-12(33)14(35)20(45-8)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H7-,23,24,25,26,28,29,36,37,38,39,40,41,52)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,51+/m1/s1
Definition date:	2016-11-11
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

82I

82I
Name:	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
Formula:	C6 H8 Cl N3 O
SMILES:	CNC1=C(Cl)C(=O)N(C)N=C1
InChi:	InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one

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