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8K1

8K1
Name:	5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
Formula:	C30 H42 N5 O10 P
SMILES:	C1(C)(CCCC2(C1CC(C34C2C5CC(C3)C(C)(C4)O5)O)C)C(OP(O)(=O)OCC6C(O)C(O)C(O6)n7cnc8c7ncnc8N)=O
InChi:	InChI=1S/C30H42N5O10P/c1-27-5-4-6-28(2,17(27)8-18(36)30-9-14-7-15(22(27)30)44-29(14,3)11-30)26(39)45-46(40,41)42-10-16-20(37)21(38)25(43-16)35-13-34-19-23(31)32-12-33-24(19)35/h12-18,20-22,25,36-38H,4-11H2,1-3H3,(H,40,41)(H2,31,32,33)/t14-,15+,16-,17+,18-,20-,21-,22+,25-,27-,28-,29+,30+/m1/s1
Definition date:	2017-02-10
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine

8KV

8KV
Name:	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
Formula:	C19 H19 N3 O3
SMILES:	c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3
InChi:	InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1
Definition date:	2017-02-13
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea

FKH

FKH
Name:	N-(6-AMINO-1-(3-METHYLBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
Formula:	C19 H20 N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2cccc(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C19H20N4O4S/c1-13-7-6-8-14(11-13)12-23-17(20)16(18(24)21-19(23)25)22(2)28(26,27)15-9-4-3-5-10-15/h3-11H,12,20H2,1-2H3,(H,21,24,25)
Definition date:	2016-01-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(3-methylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

K89

K89
Name:	4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide
Formula:	C18 H16 F4 N2 O4 S
SMILES:	OC1CCN(CC1)[S](=O)(=O)c2cc(ccc2F)C(=O)Nc3cc(F)c(F)c(F)c3
InChi:	InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26)
Definition date:	2016-09-06
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide

KDT

KDT
Name:	N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
Formula:	C18 H17 Br N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-5-3-2-4-6-14)15-16(20)23(18(25)21-17(15)24)11-12-7-9-13(19)10-8-12/h2-10H,11,20H2,1H3,(H,21,24,25)
Definition date:	2016-01-18
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

67T

67T
Name:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
Formula:	C21 H17 Cl N8 O
SMILES:	C2(=O)c1c(cccc1Cl)N=C(N2c3ccccc3)C(C)Nc4c(C#N)c(nc(n4)N)N
InChi:	InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1
Definition date:	2016-02-15
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile

68O

68O
Name:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
Formula:	C14 H12 F2 O2
SMILES:	Fc1c(cccc1)Oc2cc(F)c(CC)cc2O
InChi:	InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol

68R

68R
Name:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
Formula:	C25 H19 Cl N8 O
SMILES:	C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O
InChi:	InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one

69H

69H
Name:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
Formula:	C19 H23 F O2
SMILES:	CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C
InChi:	InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3
Definition date:	2016-02-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol

69J

69J
Name:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
Formula:	C14 H12 F N O4
SMILES:	[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol

69K

69K
Name:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
Formula:	C14 H14 F N O2
SMILES:	Cc1ncccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol

6AQ

6AQ
Name:	1-(4-fluorophenyl)-1H-imidazole
Formula:	C9 H7 F N2
SMILES:	c2ncn(c1ccc(F)cc1)c2
InChi:	InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-fluorophenyl)-1H-imidazole

6AR

6AR
Name:	1-(4-bromophenyl)-1H-imidazole
Formula:	C9 H7 Br N2
SMILES:	Brc1ccc(cc1)n2ccnc2
InChi:	InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-bromophenyl)-1H-imidazole

6AV

6AV
Name:	5-chloro-2-(1H-imidazol-1-yl)aniline
Formula:	C9 H8 Cl N3
SMILES:	n2(c1ccc(Cl)cc1N)ccnc2
InChi:	InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-chloro-2-(1H-imidazol-1-yl)aniline

6AX

6AX
Name:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Formula:	C9 H8 Cl N3 O
SMILES:	c2(Cl)ccc(Cc1nnc(N)o1)cc2
InChi:	InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

6AY

6AY
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C13 H12 Cl N5
SMILES:	c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3
InChi:	InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6B1

6B1
Name:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol
Formula:	C8 H6 Cl2 N2 O
SMILES:	c2(cc1nc(nc1cc2Cl)CO)Cl
InChi:	InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol

6BM

6BM
Name:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
Formula:	C5 H10 N O5 P
SMILES:	N1(O)CCCC(C1=O)P(O)(=O)O
InChi:	InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1
Definition date:	2016-03-02
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid

DH5

DH5
Name:	N-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
Formula:	C19 H19 Br N4 O4 S
SMILES:	CN(C1=C(N)N(Cc2ccc(Br)c(C)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C19H19BrN4O4S/c1-12-10-13(8-9-15(12)20)11-24-17(21)16(18(25)22-19(24)26)23(2)29(27,28)14-6-4-3-5-7-14/h3-10H,11,21H2,1-2H3,(H,22,25,26)
Definition date:	2016-01-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[6-azanyl-1-[(4-bromanyl-3-methyl-phenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

6W0

6W0
Name:	~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C16 H16 N2 O2 S
SMILES:	COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChi:	InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide

6W1

6W1
Name:	4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C26 H27 N3 O3 S
SMILES:	Cn1c(cc2sccc12)C(=O)Nc3ccccc3COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6W3

6W3
Name:	4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C27 H29 N3 O3 S
SMILES:	CN1CCC(CC1)Oc2ccc(OCc3ccccc3NC(=O)c4cc5sccc5n4C)cc2
InChi:	InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X0

6X0
Name:	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C29 H33 N3 O4 S
SMILES:	CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X3

6X3
Name:	4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C27 H29 N3 O3 S
SMILES:	CN1CCC(CC1)Oc2ccc(OCc3ccc(NC(=O)c4cc5sccc5n4C)cc3)cc2
InChi:	InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X5

6X5
Name:	~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C29 H33 N3 O4 S
SMILES:	CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide

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233605

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