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92O

92O
Name:	7-ethyl-3-(piperidin-4-yl)-1H-indole
Formula:	C15 H20 N2
SMILES:	CCc1cccc2c1[nH]cc2C3CCNCC3
InChi:	InChI=1S/C15H20N2/c1-2-11-4-3-5-13-14(10-17-15(11)13)12-6-8-16-9-7-12/h3-5,10,12,16-17H,2,6-9H2,1H3
Definition date:	2015-08-04
Last modified:	2015-12-11
Release date:	2015-12-16
Identifier:	7-ethyl-3-piperidin-4-yl-1H-indole

GOH

GOH
Name:	5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole
Formula:	C11 H10 N6 O
SMILES:	C1CC1c2oc(n3cccc3)c(n2)c4[nH]nnn4
InChi:	InChI=1S/C11H10N6O/c1-2-6-17(5-1)11-8(9-13-15-16-14-9)12-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,14,15,16)
Definition date:	2015-09-10
Last modified:	2015-12-11
Release date:	2015-12-16
Identifier:	2-cyclopropyl-5-pyrrol-1-yl-4-(1H-1,2,3,4-tetrazol-5-yl)-1,3-oxazole

FY8

FY8
Name:	N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide
Formula:	C12 H15 Cl N2 O2
SMILES:	Oc1ccc(Cl)cc1NC(=O)C2CCNCC2
InChi:	InChI=1S/C12H15ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2,(H,15,17)
Definition date:	2015-09-11
Last modified:	2015-12-11
Release date:	2015-12-16
Identifier:	N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide

4F1

4F1
Name:	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid
Formula:	C22 H12 Cl F3 N2 O3
SMILES:	n3(C(=O)c1c(Cl)cccc1C(F)(F)F)c4ccccc4c(c2ccc(cc2)C(O)=O)n3
InChi:	InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)
Definition date:	2015-03-13
Last modified:	2015-12-11
Release date:	2015-12-16
Identifier:	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid

IWT

IWT
Name:	5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
Formula:	C8 H6 N2 O S
SMILES:	Sc1oc(nn1)c2ccccc2
InChi:	InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
Definition date:	2015-12-02
Last modified:	2015-12-11
Release date:	2015-12-16
Identifier:	5-phenyl-1,3,4-oxadiazole-2-thiol

5L6

5L6
Name:	N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine
Formula:	C17 H25 N3 O
SMILES:	c1cc(ccc1OC(C)C)c2c(cnc2)CN(CCN)C
InChi:	InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Definition date:	2015-10-16
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine

BBN

BBN
Name:	1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide
Formula:	C8 H8 B N3 O2
SMILES:	B2(c1c(cccc1)C=NN2C(N)=O)O
InChi:	InChI=1S/C8H8BN3O2/c10-8(13)12-9(14)7-4-2-1-3-6(7)5-11-12/h1-5,14H,(H2,10,13)
Definition date:	2015-07-09
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide

CJ3

CJ3
Name:	1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide
Formula:	C8 H8 B N3 O S
SMILES:	B2(O)c1ccccc1C=NN2C(=S)N
InChi:	InChI=1S/C8H8BN3OS/c10-8(14)12-9(13)7-4-2-1-3-6(7)5-11-12/h1-5,13H,(H2,10,14)
Definition date:	2015-07-09
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide

57H

57H
Name:	prop-2-en-1-ylphosphonic acid
Formula:	C3 H7 O3 P
SMILES:	P(O)(O)(=O)CC=C
InChi:	InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
Definition date:	2015-08-07
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	prop-2-en-1-ylphosphonic acid

5JM

5JM
Name:	4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Formula:	C26 H21 Cl N6 O4
SMILES:	N(c1ccc(C(O)=O)cc1)C(C(NC([C@H]=[C@H]c2cc(Cl)ccc2n3nnnc3)=O)Cc4ccccc4)=O
InChi:	InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1
Definition date:	2015-10-02
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid

3UE

3UE
Name:	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
Formula:	C25 H25 N3 O3
SMILES:	[O-][N+](=O)c1ccc(cc1C)C(=O)N4CCN(C(c2ccccc2)c3ccccc3)CC4
InChi:	InChI=1S/C25H25N3O3/c1-19-18-22(12-13-23(19)28(30)31)25(29)27-16-14-26(15-17-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3
Definition date:	2014-11-03
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone

42V

42V
Name:	5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one
Formula:	C10 H9 N3 O2 S
SMILES:	S=C2NC(=CC=1C=CC(=O)NC=1)C(=O)N2C
InChi:	InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+
Definition date:	2015-01-27
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one

43L

43L
Name:	(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Formula:	C16 H13 Br2 N5
SMILES:	Brc1cccc(c1)C3n4nnnc4NC(c2cccc(Br)c2)C3
InChi:	InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1
Definition date:	2015-01-28
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

48Q

48Q
Name:	~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide
Formula:	C39 H52 N4 O4
SMILES:	CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(=Cc2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4CCCCC4
InChi:	InChI=1S/C39H52N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,23-27,36,40,44H,6-7,9,12-13,19-22,28H2,1-5H3,(H,41,45)/b35-23-/t36-/m1/s1
Definition date:	2015-02-13
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide

49W

49W
Name:	N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide
Formula:	C37 H47 N5 O3
SMILES:	O=C(NC(Cc1ccccc1)C(O)CNC(c2ncccc2)(C)C)c3cc(cc(C(=O)N(CCC)CCC)c3)N4C=CC=CC4
InChi:	InChI=1S/C37H47N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7-18,21,24-26,32-33,39,43H,5-6,19-20,22-23,27H2,1-4H3,(H,40,44)/t32-,33-/m0/s1
Definition date:	2015-02-18
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide

BL8

BL8
Name:	3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Formula:	C33 H36 N4 O6
SMILES:	C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20-/m1/s1
Definition date:	2015-03-16
Last modified:	2015-12-04
Release date:	2015-12-09
Identifier:	3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

5N3

5N3
Name:	~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine
Formula:	C18 H16 Cl N7 O
SMILES:	CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(nc12)c5c[nH]nc5
InChi:	InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)
Definition date:	2015-10-26
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine

5N4

5N4
Name:	~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine
Formula:	C19 H19 N7 O
SMILES:	Cn1nccc1c2nc(Nc3n[nH]c4ccccc34)c5COC(C)(C)c5n2
InChi:	InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)
Definition date:	2015-10-26
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine

NVX

NVX
Name:	7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
Formula:	C19 H16 Cl N3 O2
SMILES:	Clc1cccc(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3
InChi:	InChI=1S/C19H16ClN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1
Definition date:	2015-04-07
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one

5RC

5RC
Name:	~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
Formula:	C20 H20 F5 N5 O S
SMILES:	CCc1sc(cc1c2cnn3cc(cnc23)C(F)(F)F)C(=O)N[CH]4[CH](N)CCCC4(F)F
InChi:	InChI=1S/C20H20F5N5OS/c1-2-14-11(12-8-28-30-9-10(20(23,24)25)7-27-17(12)30)6-15(32-14)18(31)29-16-13(26)4-3-5-19(16,21)22/h6-9,13,16H,2-5,26H2,1H3,(H,29,31)/t13-,16-/m1/s1
Definition date:	2015-11-17
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

VT1

VT1
Name:	(R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
Formula:	C23 H16 F7 N5 O2
SMILES:	FC(F)(F)COc1ccc(cc1)c2ccc(nc2)C(F)(F)C(O)(c3ccc(F)cc3F)Cn4nnnc4
InChi:	InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1
Definition date:	2015-02-26
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol

3YO

3YO
Name:	N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
Formula:	C27 H24 F N7 O2 S
SMILES:	O=C3C(Nc1nn2c(c1)CN(C)CC2)=CC(=NN3)c4c(c(c(F)cc4)NC(=O)c6sc5ccccc5c6)C
InChi:	InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
Definition date:	2014-12-10
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide

4Y1

4Y1
Name:	6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
Formula:	C18 H20 Cl N5 O S
SMILES:	c1(nc(nc(Cl)c1C)OCCc2ncccc2)NCc3c(nc(C)s3)C
InChi:	InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)
Definition date:	2015-06-18
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine

54L

54L
Name:	pent-4-ynoic acid
Formula:	C5 H6 O2
SMILES:	C(CCC#C)(=O)O
InChi:	InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
Definition date:	2015-07-23
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	pent-4-ynoic acid

4L7

4L7
Name:	7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one
Formula:	C17 H14 Br N3 O2 S
SMILES:	C(=O)(C1C(CNC1)c3cc2N=CNC(=O)c2cc3)c4ccc(Br)s4
InChi:	InChI=1S/C17H14BrN3O2S/c18-15-4-3-14(24-15)16(22)12-7-19-6-11(12)9-1-2-10-13(5-9)20-8-21-17(10)23/h1-5,8,11-12,19H,6-7H2,(H,20,21,23)/t11-,12+/m1/s1
Definition date:	2015-04-08
Last modified:	2015-11-27
Release date:	2015-12-02
Identifier:	7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one

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