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HJG

HJG
Name:	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
Formula:	C18 H18 Cl N3 O
SMILES:	c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl
InChi:	InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
Definition date:	2018-07-05
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol

L5P

L5P
Name:	(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
Formula:	C11 H23 N2 O9 P
SMILES:	NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
InChi:	InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
Definition date:	2014-11-17
Last modified:	2018-12-10
Release date:	2015-01-14
Identifier:	(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)

IU1

IU1
Name:	1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
Formula:	C18 H21 F N2 O
SMILES:	O=C(c1c(n(c(c1)C)c2ccc(cc2)F)C)CN3CCCC3
InChi:	InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one

L76

L76
Name:	1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine
Formula:	C26 H28 F7 N5 O2
SMILES:	Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4
InChi:	InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1
Definition date:	2018-07-20
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine

CQB

CQB
Name:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
Formula:	C12 H19 N O8
SMILES:	CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
Definition date:	2017-12-01
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid

CQK

CQK
Name:	~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
Formula:	C7 H6 N6 O2
SMILES:	ONC(=O)c1cc(ccn1)c2n[nH]nn2
InChi:	InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13)
Definition date:	2017-12-03
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

CQT

CQT
Name:	~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
Formula:	C14 H19 N7 O2
SMILES:	O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3
InChi:	InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)
Definition date:	2017-12-03
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

CQZ

CQZ
Name:	2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
Formula:	C9 H12 N2 O3
SMILES:	OCCCNc1cc(ccn1)C(O)=O
InChi:	InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)
Definition date:	2017-12-03
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid

E9G

E9G
Name:	{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid
Formula:	C10 H11 N O4
SMILES:	c1cccc(C(C)N(C(=O)C(O)=O)O)c1
InChi:	InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2017-12-13
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid

E9J

E9J
Name:	oxo{[(1S)-1-phenylethyl]amino}acetic acid
Formula:	C10 H11 N O3
SMILES:	C(C(NC(C)c1ccccc1)=O)(O)=O
InChi:	InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
Definition date:	2017-12-13
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	oxo{[(1S)-1-phenylethyl]amino}acetic acid

K9J

K9J
Name:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C29 H38 N6 O3
SMILES:	c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O
InChi:	InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1
Definition date:	2018-11-14
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

K9M

K9M
Name:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C24 H27 N5 O
SMILES:	c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5
InChi:	InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
Definition date:	2018-11-14
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

KFD

KFD
Name:	N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
Formula:	C29 H29 N7 O3
SMILES:	C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7
InChi:	InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37)
Definition date:	2018-11-30
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

KGV

KGV
Name:	3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
Formula:	C19 H24 N7 O7 P
SMILES:	c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O
InChi:	InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1
Definition date:	2018-12-04
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)

CTK

CTK
Name:	2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
Formula:	C9 H13 N3 O4 S
SMILES:	C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O
InChi:	InChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14)
Definition date:	2017-12-03
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid

CVZ

CVZ
Name:	3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione
Formula:	C33 H44 N6 O6
SMILES:	CCN(CCCCCN1C(=CC(=O)N(C=CCCCN(CC)Cc2ccccc2[N+]([O-])=O)C1=O)C)Cc3ccccc3[N+]([O-])=O
InChi:	InChI=1S/C33H44N6O6/c1-4-34(25-28-16-8-10-18-30(28)38(42)43)20-12-6-14-22-36-27(3)24-32(40)37(33(36)41)23-15-7-13-21-35(5-2)26-29-17-9-11-19-31(29)39(44)45/h8-11,15-19,23-24H,4-7,12-14,20-22,25-26H2,1-3H3/b23-15+
Definition date:	2017-12-09
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione

EEY

EEY
Name:	2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
Formula:	C12 H8 Cl N3 O3
SMILES:	C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O
InChi:	InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
Definition date:	2018-01-08
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-chloro-5-nitro-N-(pyridin-4-yl)benzamide

HX8

HX8
Name:	4-phenoxyphenol
Formula:	C12 H10 O2
SMILES:	c2cccc(Oc1ccc(cc1)O)c2
InChi:	InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
Definition date:	2018-01-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	4-phenoxyphenol

969

969
Name:	11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione
Formula:	C22 H18 O6
SMILES:	CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C
InChi:	InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1
Definition date:	2018-01-16
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione

9P6

9P6
Name:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide
Formula:	C25 H32 N4 O3 S
SMILES:	COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C
InChi:	InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30)
Definition date:	2018-06-17
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide

9RQ

9RQ
Name:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
Formula:	C18 H17 O8 P S
SMILES:	C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O
InChi:	InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1
Definition date:	2017-07-04
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid

A8F

A8F
Name:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one
Formula:	C19 H23 Cl N2 O
SMILES:	O=C(c1c(n(c(c1)C)c2ccc(cc2)Cl)C)CN3CCCCC3
InChi:	InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one

A8L

A8L
Name:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one
Formula:	C19 H23 Cl N2 O2
SMILES:	c1c(ccc(c1)n3c(C)cc(C(=O)CN2CCC(CC2)O)c3C)Cl
InChi:	InChI=1S/C19H23ClN2O2/c1-13-11-18(19(24)12-21-9-7-17(23)8-10-21)14(2)22(13)16-5-3-15(20)4-6-16/h3-6,11,17,23H,7-10,12H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one

A9R

A9R
Name:	7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine
Formula:	C17 H15 N5 O
SMILES:	n1cc(cn1C)c2cn3c(cnc3cc2OC)c4ncccc4
InChi:	InChI=1S/C17H15N5O/c1-21-10-12(8-20-21)13-11-22-15(14-5-3-4-6-18-14)9-19-17(22)7-16(13)23-2/h3-11H,1-2H3
Definition date:	2018-10-28
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine

C68

C68
Name:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid
Formula:	C12 H19 N O8
SMILES:	CC(C)C[CH](OC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO8/c1-6(2)5-8(11(18)19)21-12(20)13-7(10(16)17)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
Definition date:	2017-11-15
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid

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