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LTQ

LTQ
Name:	(4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide
Formula:	C16 H21 N5 O4 S2
SMILES:	O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c3c(cc(cc3)C#N)C)=O
InChi:	InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Definition date:	2015-08-04
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide

50R

50R
Name:	4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
Formula:	C15 H11 I N2 O2 S
SMILES:	c1(C(NC)=O)sc2cncc(c2c1)Oc3ccc(cc3)I
InChi:	InChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
Definition date:	2015-07-08
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

43Z

43Z
Name:	Optactamide
Formula:	C13 H15 Cl F N O3
SMILES:	O=C(NCc1cccc(F)c1Cl)C2CC(O)C(O)C2
InChi:	InChI=1S/C13H15ClFNO3/c14-12-7(2-1-3-9(12)15)6-16-13(19)8-4-10(17)11(18)5-8/h1-3,8,10-11,17-18H,4-6H2,(H,16,19)/t8-,10+,11-
Definition date:	2015-02-03
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(1r,3R,4S)-N-(2-chloro-3-fluorobenzyl)-3,4-dihydroxycyclopentanecarboxamide

VQI

VQI
Name:	(E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1CCc2cc(O)c(C)cc2[CH]1c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-15(2)14-24-11-10-19-13-21(25)16(3)12-20(19)23(24)18-7-4-17(5-8-18)6-9-22(26)27/h4-9,12-13,15,23,25H,10-11,14H2,1-3H3,(H,26,27)/b9-6+/t23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-7-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid

RSQ

RSQ
Name:	5-formylcytidine 5'-(dihydrogen phosphate)
Formula:	C10 H14 N3 O9 P
SMILES:	P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C1)=O)O2)O)O)=O
InChi:	InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Definition date:	2010-01-25
Last modified:	2016-02-04
Identifier:	5-formylcytidine 5'-(dihydrogen phosphate)

5NR

5NR
Name:	2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
Formula:	C14 H22 N2
SMILES:	NCCN1CCC(CC1)Cc2ccccc2
InChi:	InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
Definition date:	2015-10-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	2-[4-(phenylmethyl)piperidin-1-yl]ethanamine

5T0

5T0
Name:	3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
Formula:	C20 H31 N3 O
SMILES:	CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3
InChi:	InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3
Definition date:	2015-11-25
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one

5T4

5T4
Name:	~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Formula:	C15 H23 N5 O
SMILES:	O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3
InChi:	InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21)
Definition date:	2015-11-26
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

5TB

5TB
Name:	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
Formula:	C20 H31 N3 O
SMILES:	CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3
InChi:	InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3
Definition date:	2015-11-27
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one

5TC

5TC
Name:	3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide
Formula:	C27 H34 N4 O
SMILES:	O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)NCc3ccc(cc3)N4CCCCC4
InChi:	InChI=1S/C27H34N4O/c28-20-23-4-9-26(10-5-23)31-18-14-22(15-19-31)8-13-27(32)29-21-24-6-11-25(12-7-24)30-16-2-1-3-17-30/h4-7,9-12,22H,1-3,8,13-19,21H2,(H,29,32)
Definition date:	2015-11-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide

5TD

5TD
Name:	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
Formula:	C19 H25 N3 O
SMILES:	O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3
InChi:	InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
Definition date:	2015-11-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile

5TE

5TE
Name:	3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
Formula:	C19 H28 N2 O
SMILES:	O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3
InChi:	InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)
Definition date:	2015-11-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide

5TG

5TG
Name:	~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
Formula:	C25 H39 N3 O3
SMILES:	CN(Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3)C(=O)OC(C)(C)C
InChi:	InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26(4)19-21-7-10-22(11-8-21)27-17-13-20(14-18-27)9-12-23(29)28-15-5-6-16-28/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3
Definition date:	2015-11-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate

5TO

5TO
Name:	3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
Formula:	C12 H21 N O
SMILES:	O=C(CCC1CCCC1)N2CCCC2
InChi:	InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
Definition date:	2015-11-30
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one

5TT

5TT
Name:	~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
Formula:	C13 H20 N2
SMILES:	CNCc1ccc(cc1)N2CCCCC2
InChi:	InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
Definition date:	2015-12-01
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine

5WE

5WE
Name:	4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide
Formula:	C26 H30 N8 O2 S
SMILES:	CN(C)CCCC(=O)N1CCC[CH]1c2nc(c3ccc(cc3)C(=O)Nc4sccn4)c5n2ccnc5N
InChi:	InChI=1S/C26H30N8O2S/c1-32(2)13-4-6-20(35)33-14-3-5-19(33)24-30-21(22-23(27)28-11-15-34(22)24)17-7-9-18(10-8-17)25(36)31-26-29-12-16-37-26/h7-12,15-16,19H,3-6,13-14H2,1-2H3,(H2,27,28)(H,29,31,36)/t19-/m0/s1
Definition date:	2015-12-15
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide

5WF

5WF
Name:	4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C29 H28 F3 N7 O3
SMILES:	CC1(COC1)C(=O)N2CCC[CH](C2)c3nc(c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N
InChi:	InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1
Definition date:	2015-12-15
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide

5XG

5XG
Name:	8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Formula:	C20 H21 Cl N6 O
SMILES:	Nc1[nH]nc2cc(ccc12)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4
InChi:	InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26)
Definition date:	2015-12-21
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

5XV

5XV
Name:	~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide
Formula:	C16 H15 F3 N6 O2
SMILES:	C[CH](Oc1nc(cnc1N)c2ccc3nc(NC(C)=O)cn3c2)C(F)(F)F
InChi:	InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)/t8-/m0/s1
Definition date:	2015-12-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide

5Y6

5Y6
Name:	8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Formula:	C20 H21 Cl N4 O4 S
SMILES:	CN1c2ccc(cc2C[S]1(=O)=O)c3cncc(Cl)c3N4CCC5(CC4)CNC(=O)O5
InChi:	InChI=1S/C20H21ClN4O4S/c1-24-17-3-2-13(8-14(17)11-30(24,27)28)15-9-22-10-16(21)18(15)25-6-4-20(5-7-25)12-23-19(26)29-20/h2-3,8-10H,4-7,11-12H2,1H3,(H,23,26)
Definition date:	2016-01-05
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

5Y7

5Y7
Name:	5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide
Formula:	C24 H31 Cl N4 O3 S
SMILES:	COCCN1CCCC12CCN(CC2)c3c(Cl)cncc3c4ccc5N(C)[S](=O)(=O)Cc5c4
InChi:	InChI=1S/C24H31ClN4O3S/c1-27-22-5-4-18(14-19(22)17-33(27,30)31)20-15-26-16-21(25)23(20)28-10-7-24(8-11-28)6-3-9-29(24)12-13-32-2/h4-5,14-16H,3,6-13,17H2,1-2H3
Definition date:	2016-01-05
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide

5Y8

5Y8
Name:	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Formula:	C21 H23 Cl N6 O
SMILES:	Cn1ncc2cc(ccc12)c3cnc(N)c(Cl)c3N4CCC5(CCNC5=O)CC4
InChi:	InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
Definition date:	2016-01-05
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

61S

61S
Name:	tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate
Formula:	C29 H34 N2 O4
SMILES:	C(c1ccc(O)cc1)Cc3cc(C(NC(C(=O)OC(C)(C)C)CCc2ccccc2)=O)ccc3N
InChi:	InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m1/s1
Definition date:	2016-01-13
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	tert-butyl (2R)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate

31A

31A
Name:	N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula:	C21 H25 N3 O3
SMILES:	O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3
InChi:	InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
Definition date:	2013-10-10
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide

841

841
Name:	~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Formula:	C16 H24 N4 O
SMILES:	O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3
InChi:	InChI=1S/C16H24N4O/c21-16(20-9-3-4-10-20)18-13-14-6-11-19(12-7-14)15-5-1-2-8-17-15/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
Definition date:	2015-11-26
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

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