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6NN

6NN
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((R)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
Formula:	C20 H34 N3 O5 P
SMILES:	c1ccccc1COC(=O)NCP(=O)(NC(C(=O)NCC(C)CC)CC(C)C)O
InChi:	InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18+/m1/s1
Definition date:	2016-05-11
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2-methylbutyl]-L-leucinamide

BSX

BSX
Name:	2-(2-fluorophenyl)ethanamine
Formula:	C8 H10 F N
SMILES:	NCCc1ccccc1F
InChi:	InChI=1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
Definition date:	2015-12-21
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	2-(2-fluorophenyl)ethanamine

6PT

6PT
Name:	4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid
Formula:	C21 H19 N3 O4
SMILES:	c3cc(NC=2C(=O)N(N=C(c1ccccc1)C=2C(C)=O)CC)ccc3C(=O)O
InChi:	InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28)
Definition date:	2016-05-18
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid

6QJ

6QJ
Name:	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:	C19 H14 F N O3
SMILES:	Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
InChi:	InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
Definition date:	2016-06-04
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone

6QO

6QO
Name:	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:	C18 H11 F2 N O3
SMILES:	Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F
InChi:	InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
Definition date:	2016-06-06
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

6QU

6QU
Name:	[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:	C18 H11 F2 N O4
SMILES:	Oc1cccc(c1F)c2cccc(n2)C(=O)c3ccc(F)c(O)c3O
InChi:	InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H
Definition date:	2016-06-06
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

6WX

6WX
Name:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C23 H23 F N4 O4
SMILES:	CCCN1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C23H23FN4O4/c1-2-9-26-10-11-27(14-20(26)29)22(31)17-12-15(7-8-18(17)24)13-28-19-6-4-3-5-16(19)21(30)25-23(28)32/h3-8,12H,2,9-11,13-14H2,1H3,(H,25,30,32)
Definition date:	2016-07-12
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

6WY

6WY
Name:	1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C22 H21 F N4 O4
SMILES:	CCN1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C22H21FN4O4/c1-2-25-9-10-26(13-19(25)28)21(30)16-11-14(7-8-17(16)23)12-27-18-6-4-3-5-15(18)20(29)24-22(27)31/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,29,31)
Definition date:	2016-07-12
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione

6XD

6XD
Name:	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea
Formula:	C17 H26 N4 O
SMILES:	O=C(NCCCn1ccnc1)NC23CC4CC(CC(C4)C2)C3
InChi:	InChI=1S/C17H26N4O/c22-16(19-2-1-4-21-5-3-18-12-21)20-17-9-13-6-14(10-17)8-15(7-13)11-17/h3,5,12-15H,1-2,4,6-11H2,(H2,19,20,22)/t13-,14+,15-,17-
Definition date:	2016-07-14
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea

6XF

6XF
Name:	~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide
Formula:	C21 H22 N4 O5
SMILES:	COc1ccc(cc1)c2noc(CN(C(C)C)C(=O)Cc3ccc(cc3)[N](=O)=O)n2
InChi:	InChI=1S/C21H22N4O5/c1-14(2)24(20(26)12-15-4-8-17(9-5-15)25(27)28)13-19-22-21(23-30-19)16-6-10-18(29-3)11-7-16/h4-11,14H,12-13H2,1-3H3
Definition date:	2016-07-14
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide

6XO

6XO
Name:	(2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
Formula:	C24 H38 N3 O7 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(O)=O
InChi:	InChI=1S/C24H38N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1
Definition date:	2016-07-15
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	(2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid

GBT

GBT
Name:	(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one
Formula:	C29 H33 N7 O3
SMILES:	Cc4nc(N)cc5OCCC=CCCCOc1c(ccc(c1)Cn2cccn2)Cn3ncc(c3)C(NCc45)=O
InChi:	InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
Definition date:	2016-10-12
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one

5VD

5VD
Name:	methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate
Formula:	C21 H18 O9
SMILES:	COC(=O)[CH]1c2cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c2[CH](O)C[C]1(C)O
InChi:	InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3/t11-,16-,21+/m0/s1
Definition date:	2015-12-09
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate

VT5

VT5
Name:	(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one
Formula:	C18 H19 Cl F N O3
SMILES:	CC(=O)C1=C(O)C(=O)N([CH]1C2CCCCC2)c3ccc(Cl)cc3F
InChi:	InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
Definition date:	2016-08-19
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one

7HQ

7HQ
Name:	benzimidazol-1-ylmethanol
Formula:	C8 H8 N2 O
SMILES:	OCn1cnc2ccccc12
InChi:	InChI=1S/C8H8N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2
Definition date:	2016-11-01
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	benzimidazol-1-ylmethanol

5ZI

5ZI
Name:	4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide
Formula:	C27 H21 N5 O3
SMILES:	O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45
InChi:	InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)
Definition date:	2015-12-01
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	4-[3-(4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide

63U

63U
Name:	(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H19 N3 O4 S
SMILES:	O=C(C1=C(C)CSC(N1)C(C=O)NC(C(c2ccccc2)N)=O)O
InChi:	InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,11-12,15,19H,8,17H2,1H3,(H,18,21)(H,22,23)/t11-,12-,15+/m1/s1
Definition date:	2016-01-21
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

63V

63V
Name:	(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C14 H14 N2 O4 S2
SMILES:	O=C(C1=NC(SCC/1=C)C(C=O)NC(=O)Cc2sccc2)O
InChi:	InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13+/m1/s1
Definition date:	2016-01-21
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

65P

65P
Name:	(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
Formula:	C31 H32 F2 N2 O4
SMILES:	c1cc(F)c(cc1Cn3c2nc(C)c(c(c2cc3)c5ccc4OCCCc4c5C)C(OC(C)(C)C)C(=O)O)F
InChi:	InChI=1S/C31H32F2N2O4/c1-17-20-7-6-14-38-25(20)11-9-21(17)27-22-12-13-35(16-19-8-10-23(32)24(33)15-19)29(22)34-18(2)26(27)28(30(36)37)39-31(3,4)5/h8-13,15,28H,6-7,14,16H2,1-5H3,(H,36,37)/t28-/m0/s1
Definition date:	2016-01-28
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid

65Y

65Y
Name:	6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Formula:	C22 H22 Cl N O2
SMILES:	c2c3c(c1cccc(C(C)C)c1)c(c(C(C)C)nc3ccc2Cl)C(=O)O
InChi:	InChI=1S/C22H22ClNO2/c1-12(2)14-6-5-7-15(10-14)19-17-11-16(23)8-9-18(17)24-21(13(3)4)20(19)22(25)26/h5-13H,1-4H3,(H,25,26)
Definition date:	2016-02-02
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	6-chloro-2-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]quinoline-3-carboxylic acid

65Z

65Z
Name:	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
Formula:	C21 H18 Cl2 N2 O2
SMILES:	N1(CCCCC1)c2nc4c(cc(cc4c(c2C(=O)O)c3ccccc3)Cl)Cl
InChi:	InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
Definition date:	2016-02-02
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid

67U

67U
Name:	6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
Formula:	C13 H14 Br N5
SMILES:	CC(C)c1c(cn(n1)C)c3nc2c(ncc(c2)Br)n3
InChi:	InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)
Definition date:	2016-02-16
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine

6A8

6A8
Name:	((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
Formula:	C25 H35 B N6 O5
SMILES:	O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3
InChi:	InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1
Definition date:	2016-02-25
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide

6F7

6F7
Name:	3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)
Formula:	C10 H15 N2 O8 P
SMILES:	N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)NC(C(=C2)C)=O
InChi:	InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(20-9)4-19-21(16,17)18/h3,6-7,9,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:	2016-03-29
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)

6MX

6MX
Name:	2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid
Formula:	C28 H39 N3 O4 S
SMILES:	OC(=O)C[CH]1CCN(C1)c2ccc(C(=O)N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4)c(SC6CCCCC6)n2
InChi:	InChI=1S/C28H39N3O4S/c32-24(33)12-17-8-9-31(16-17)23-7-6-22(27(29-23)36-21-4-2-1-3-5-21)26(34)30-25-19-10-18-11-20(25)15-28(35,13-18)14-19/h6-7,17-21,25,35H,1-5,8-16H2,(H,30,34)(H,32,33)/t17-,18-,19-,20+,25-,28-/m1/s1
Definition date:	2016-05-30
Last modified:	2016-12-09
Release date:	2016-12-14
Identifier:	2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid

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