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H6V

H6V
Name:	2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
Formula:	C22 H25 N3 O3 S
SMILES:	C(=O)(O)c2c1sc(cc1ncc2)C(OCCN3CCCCC3)c4cccc(c4)N
InChi:	InChI=1S/C22H25N3O3S/c23-16-6-4-5-15(13-16)20(28-12-11-25-9-2-1-3-10-25)19-14-18-21(29-19)17(22(26)27)7-8-24-18/h4-8,13-14,20H,1-3,9-12,23H2,(H,26,27)/t20-/m1/s1
Definition date:	2018-06-11
Last modified:	2018-11-16
Release date:	2018-11-21
Identifier:	2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid

H74

H74
Name:	2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
Formula:	C25 H27 N3 O4 S
SMILES:	[C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C
InChi:	InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1
Definition date:	2018-06-11
Last modified:	2018-11-16
Release date:	2018-11-21
Identifier:	2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid

H77

H77
Name:	2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
Formula:	C28 H34 N4 O4 S
SMILES:	C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(=O)[C@H]=[C@H]CN(C)C)OCCN4CCCCC4
InChi:	InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1
Definition date:	2018-06-11
Last modified:	2018-11-16
Release date:	2018-11-21
Identifier:	2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid

KK4

KK4
Name:	3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one
Formula:	C30 H28 N4 O3
SMILES:	O=C1ON=C(N1)C(=C2/c4c(COc3c2cccc3)cc(cc4)Cn5c(CCC)nc6c5cccc6C)C
InChi:	InChI=1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+
Definition date:	2018-08-10
Last modified:	2018-11-09
Release date:	2018-11-14
Identifier:	3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one

FT8

FT8
Name:	Omapatrilat
Formula:	C19 H24 N2 O4 S2
SMILES:	OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)Cc3ccccc3)C(=O)N12
InChi:	InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
Definition date:	2018-07-25
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	(4~{S},7~{S},10~{a}~{S})-5-oxidanylidene-4-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10~{a}-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid

BS8

BS8
Name:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine
Formula:	C11 H8 F N5
SMILES:	Nc1[nH]c2c(ccnc2n1)c3ccncc3F
InChi:	InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

BSW

BSW
Name:	4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C12 H8 F N3
SMILES:	Fc1cnccc1c2ccnc3[nH]ccc23
InChi:	InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

BU5

BU5
Name:	[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
Formula:	C11 H9 N3 O S
SMILES:	OCc1csc(n1)c2ccnc3[nH]ccc23
InChi:	InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol

BU8

BU8
Name:	1~{H}-imidazo[4,5-b]pyridin-2-amine
Formula:	C6 H6 N4
SMILES:	Nc1[nH]c2cccnc2n1
InChi:	InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	1~{H}-imidazo[4,5-b]pyridin-2-amine

J2V

J2V
Name:	N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
Formula:	C20 H17 N5 O2
SMILES:	c4c(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc(n4)OC
InChi:	InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
Definition date:	2018-08-06
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide

J2Y

J2Y
Name:	N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
Formula:	C20 H17 N5 O2
SMILES:	c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC
InChi:	InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
Definition date:	2018-08-06
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide

F8D

F8D
Name:	1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
Formula:	C13 H14 Cl N O3
SMILES:	c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO
InChi:	InChI=1S/C13H14ClNO3/c1-7(17)15-5-8(6-16)13-12(15)10-4-9(14)2-3-11(10)18-13/h2-4,8,12-13,16H,5-6H2,1H3/t8-,12-,13-/m0/s1
Definition date:	2018-03-13
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one

JJP

JJP
Name:	(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:	C15 H18 N2 O
SMILES:	c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O
InChi:	InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

JMY

JMY
Name:	1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
Formula:	C13 H14 F N O3
SMILES:	c1cc(c2c(c1)C3N(C(C)=O)CC(C3O2)CO)F
InChi:	InChI=1S/C13H14FNO3/c1-7(17)15-5-8(6-16)12-11(15)9-3-2-4-10(14)13(9)18-12/h2-4,8,11-12,16H,5-6H2,1H3/t8-,11-,12-/m0/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one

JPV

JPV
Name:	(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:	C14 H16 N2 O
SMILES:	c21nc3C4C(O)CNC(Cc3c1cccc2)C4
InChi:	InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

H94

H94
Name:	6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:	C19 H16 F6 N6 O2
SMILES:	c3(C1CCN(CC1)c2cc(C(F)(F)F)c(C#N)cn2)nnc4c3C(C(F)(F)F)(O)CC(N4)=O
InChi:	InChI=1S/C19H16F6N6O2/c20-18(21,22)11-5-12(27-8-10(11)7-26)31-3-1-9(2-4-31)15-14-16(30-29-15)28-13(32)6-17(14,33)19(23,24)25/h5,8-9,33H,1-4,6H2,(H2,28,29,30,32)/t17-/m1/s1
Definition date:	2018-06-18
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile

E0M

E0M
Name:	2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one
Formula:	C16 H14 N6 O2
SMILES:	CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)c3nnnn3)N)=O)c4
InChi:	InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)
Definition date:	2017-11-20
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one

E0P

E0P
Name:	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
Formula:	C18 H18 N2 O4
SMILES:	CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O
InChi:	InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
Definition date:	2017-11-20
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate

E0S

E0S
Name:	2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide
Formula:	C17 H15 N7 O3
SMILES:	CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)C(Nc3nnnn3)=O)N)=O)c4
InChi:	InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)
Definition date:	2017-11-20
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide

FJ7

FJ7
Name:	(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Formula:	C30 H31 F N4 O3
SMILES:	c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F
InChi:	InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m1/s1
Definition date:	2018-04-02
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

EPW

EPW
Name:	Cystargolide B- bound form
Formula:	C17 H30 N2 O7
SMILES:	CC(C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C(C)C)C(O)=O)C(C)C)C(O)=O
InChi:	InChI=1S/C17H30N2O7/c1-7(2)10(16(23)24)13(20)15(22)18-11(8(3)4)14(21)19-12(9(5)6)17(25)26/h7-13,20H,1-6H3,(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t10-,11-,12-,13+/m0/s1
Definition date:	2018-04-06
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

EQ2

EQ2
Name:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
Formula:	C14 H10 N2 O3
SMILES:	CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)
Definition date:	2018-04-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid

AO8

AO8
Name:	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
Formula:	C18 H20 B N3 O4 S
SMILES:	OB(O)c1ccccc1CNCCN[S](=O)(=O)c2cccc3cnccc23
InChi:	InChI=1S/C18H20BN3O4S/c23-19(24)17-6-2-1-4-15(17)13-21-10-11-22-27(25,26)18-7-3-5-14-12-20-9-8-16(14)18/h1-9,12,21-24H,10-11,13H2
Definition date:	2017-08-22
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid

X26

X26
Name:	11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C37 H48 N8 O3
SMILES:	O=C3c1c(cccc1)N(C2CCCC2)c4c(N3C)cnc(n4)Nc5ccc(cc5OC(C)C)C(=O)N6CCC(CC6)N7CCN(C)CC7
InChi:	InChI=1S/C37H48N8O3/c1-25(2)48-33-23-26(35(46)44-17-15-27(16-18-44)43-21-19-41(3)20-22-43)13-14-30(33)39-37-38-24-32-34(40-37)45(28-9-5-6-10-28)31-12-8-7-11-29(31)36(47)42(32)4/h7-8,11-14,23-25,27-28H,5-6,9-10,15-22H2,1-4H3,(H,38,39,40)
Definition date:	2018-02-26
Last modified:	2018-08-24
Release date:	2018-08-29
Identifier:	11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

B7W

B7W
Name:	3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
Formula:	C18 H14 N4
SMILES:	Nc1cccc(c1)c2cnc3[nH]cc(c4cccnc4)c3c2
InChi:	InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)
Definition date:	2017-09-20
Last modified:	2018-08-24
Release date:	2018-08-29
Identifier:	3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline

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