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H7N

H7N
Name:	butoxy(hexyl)phosphinic acid
Formula:	C10 H23 O3 P
SMILES:	CCCCCC[P](O)(=O)OCCCC
InChi:	InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)
Definition date:	2018-11-20
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	butoxy(hexyl)phosphinic acid

UZ0

UZ0
Name:	2'-azido-2'-deoxyuridine
Formula:	C9 H11 N5 O5
SMILES:	N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
InChi:	InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2019-01-21
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2'-azido-2'-deoxyuridine

JBG

JBG
Name:	N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine
Formula:	C23 H27 Cl2 N3 O5
SMILES:	C1CN(CCN1C)CCOc3c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)Cl
InChi:	InChI=1S/C23H27Cl2N3O5/c1-27-7-9-28(10-8-27)11-12-33-21-17(24)14-16(20(29)19(21)25)22(30)26-18(23(31)32)13-15-5-3-2-4-6-15/h2-6,14,18,29H,7-13H2,1H3,(H,26,30)(H,31,32)/t18-/m0/s1
Definition date:	2018-08-28
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine

OZP

OZP
Name:	9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
Formula:	C24 H32 N8 O6
SMILES:	c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N)C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N
InChi:	InChI=1S/C24H32N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,2,4,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23-/m0/s1
Definition date:	2019-07-22
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine

P0V

P0V
Name:	9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
Formula:	C24 H28 N8 O6
SMILES:	c1c(cccc1C#CCN(CC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O
InChi:	InChI=1S/C24H28N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18+,19+,23+/m1/s1
Definition date:	2019-07-22
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine

F1W

F1W
Name:	4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
Formula:	C25 H34 N4 O2 S
SMILES:	CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
InChi:	InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)
Definition date:	2018-05-17
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide

Y17

Y17
Name:	5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
Formula:	C18 H21 N3 O2
SMILES:	CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O
InChi:	InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1
Definition date:	2019-07-12
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one

Y18

Y18
Name:	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
Formula:	C17 H19 N3 O2
SMILES:	C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4
InChi:	InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1
Definition date:	2019-07-12
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one

PBP

PBP
Name:	p-Bromophenacyl bromide
Formula:	C8 H6 Br2 O
SMILES:	C(C(c1ccc(cc1)Br)=O)Br
InChi:	InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Definition date:	1999-07-08
Last modified:	2019-11-18
Identifier:	2-bromo-1-(4-bromophenyl)ethan-1-one

HJB

HJB
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid
Formula:	C10 H12 B O5
SMILES:	OC(=O)CCc1cccc2CO[B-](O)(O)c12
InChi:	InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1
Definition date:	2018-12-07
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid

HLH

HLH
Name:	2-heptyl-1~{H}-quinolin-4-one
Formula:	C16 H21 N O
SMILES:	CCCCCCCC1=CC(=O)c2ccccc2N1
InChi:	InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	2-heptyl-1~{H}-quinolin-4-one

HLK

HLK
Name:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C13 H11 F4 N3
SMILES:	Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine

HLQ

HLQ
Name:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C15 H15 F4 N3
SMILES:	Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine

L1H

L1H
Name:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
Formula:	C23 H21 F N4 O2
SMILES:	CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(c2)c3cccnc3)nc4ccccc14
InChi:	InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)
Definition date:	2019-07-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide

L1K

L1K
Name:	~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
Formula:	C23 H22 N4 O2
SMILES:	CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14
InChi:	InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
Definition date:	2019-07-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide

L3Z

L3Z
Name:	8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
Formula:	C24 H22 N4 O2
SMILES:	O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
InChi:	InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)
Definition date:	2019-07-19
Last modified:	2019-11-15
Release date:	2019-11-20

GZE

GZE
Name:	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
Formula:	C14 H11 Cl F3 N3 O4 S
SMILES:	N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
InChi:	InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
Definition date:	2018-10-26
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

GZH

GZH
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
Formula:	C16 H15 Cl F3 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
InChi:	InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24)
Definition date:	2018-10-26
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

H0W

H0W
Name:	6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide
Formula:	C40 H37 Cl2 N7 O3
SMILES:	C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)c8ccc(Cl)cc8
InChi:	InChI=1S/C40H37Cl2N7O3/c1-25(26-10-12-28(41)13-11-26)49-24-44-35(27-7-3-2-4-8-27)37(49)34-31-15-14-29(42)23-33(31)45-36(34)39(50)46-32-9-5-18-43-38(32)47-20-16-30(17-21-47)48-19-6-22-52-40(48)51/h2-5,7-15,18,23-25,30,45H,6,16-17,19-22H2,1H3,(H,46,50)/t25-/m0/s1
Definition date:	2018-11-01
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide

H1Z

H1Z
Name:	4-butoxybenzenesulfonamide
Formula:	C10 H15 N O3 S
SMILES:	CCCCOc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
Definition date:	2018-11-05
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	4-butoxybenzenesulfonamide

QL7

QL7
Name:	N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C24 H27 F N6 O4
SMILES:	C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5
InChi:	InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1
Definition date:	2019-11-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

KJ1

KJ1
Name:	N-(8-amino-8-oxooctyl)nonanamide
Formula:	C17 H34 N2 O2
SMILES:	C(CNC(CCCCCCCC)=O)CCCCCC(=O)N
InChi:	InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21)
Definition date:	2018-12-10
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-(8-amino-8-oxooctyl)nonanamide

QCV

QCV
Name:	N-(4-nitrophenyl)methanimine
Formula:	C7 H6 N2 O2
SMILES:	C=Nc1ccc(cc1)N(=O)=O
InChi:	InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2
Definition date:	2019-10-16
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-(4-nitrophenyl)methanimine

JQG

JQG
Name:	(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
Formula:	C17 H32 N4 O9 P
SMILES:	CC(C)[CH](NC=O)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)=O
InChi:	InChI=1S/C17H32N4O9P/c1-11(2)13(21-10-22)15(25)20-8-7-18-12(23)5-6-19-16(26)14(24)17(3,4)9-30-31(27,28)29/h10-11,13-14,24H,5-9H2,1-4H3,(H,18,23)(H,19,26)(H,20,25)(H,21,22)(H,27,28,29)/t13-,14-/m0/s1
Definition date:	2018-09-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide

K9V

K9V
Name:	N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
Formula:	C23 H28 F2 N2 O2
SMILES:	c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3
InChi:	InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+
Definition date:	2018-11-16
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea

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