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KR7

KR7
Name:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
Formula:	C21 H15 Cl F3 N O2
SMILES:	C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O
InChi:	InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
Definition date:	2019-01-08
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid

KRD

KRD
Name:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
Formula:	C19 H18 Cl N5 O
SMILES:	Clc1cccc(c1)c2nc(nc(n2)Nc3ccc(cc3)CC(N)=O)CC
InChi:	InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25)
Definition date:	2019-01-09
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide

KSY

KSY
Name:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O
InChi:	InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT1

KT1
Name:	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C18 H18 N2 O4
SMILES:	c2cc1C(=O)NC(c1c(c2)NCCCc3c(OC)cc(cc3)O)=O
InChi:	InChI=1S/C18H18N2O4/c1-24-15-10-12(21)8-7-11(15)4-3-9-19-14-6-2-5-13-16(14)18(23)20-17(13)22/h2,5-8,10,19,21H,3-4,9H2,1H3,(H,20,22,23)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT4

KT4
Name:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O4
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O
InChi:	InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT7

KT7
Name:	5-hydroxy-1H-isoindole-1,3(2H)-dione
Formula:	C8 H5 N O3
SMILES:	c1c(ccc2C(NC(c12)=O)=O)O
InChi:	InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-hydroxy-1H-isoindole-1,3(2H)-dione

KTG

KTG
Name:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O
InChi:	InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KTM

KTM
Name:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
InChi:	InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

KTV

KTV
Name:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
InChi:	InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

ONC

ONC
Name:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
Formula:	C24 H24 N4 O
SMILES:	Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O
InChi:	InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3
Definition date:	2018-06-03
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one

KHY

KHY
Name:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Formula:	C29 H28 Cl F6 N5 O2
SMILES:	c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:	InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Definition date:	2018-12-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol

J08

J08
Name:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
Formula:	C23 H22 N6 O
SMILES:	NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4
InChi:	InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)
Definition date:	2019-01-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

JRT

JRT
Name:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
Formula:	C17 H17 N3 O
SMILES:	O=C(Cn1cnc2ccccc12)NCCc3ccccc3
InChi:	InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide

JRW

JRW
Name:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:	C19 H26 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2
InChi:	InChI=1S/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSB

JSB
Name:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:	C17 H22 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2
InChi:	InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSN

JSN
Name:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
Formula:	C14 H15 F2 N3 O2
SMILES:	CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F
InChi:	InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide

JV5

JV5
Name:	~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
Formula:	C15 H14 N4 O2
SMILES:	Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2
InChi:	InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)
Definition date:	2019-04-02
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide

LJ7

LJ7
Name:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C
InChi:	InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide

LJD

LJD
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C12 H12 Cl N3 O
SMILES:	n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C
InChi:	InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

LJJ

LJJ
Name:	N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
Formula:	C10 H17 N3 O
SMILES:	n2nc(NC1CCCCCC1)oc2C
InChi:	InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine

LJM

LJM
Name:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
Formula:	C13 H13 F N2 O S
SMILES:	n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
InChi:	InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide

8AG

8AG
Name:	8-[ACETYL(ANTHRACEN-2-YL)AMINO]-2'-DEOXYGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C26 H27 N6 O8 P
SMILES:	O=C(N(c3cc2cc1ccccc1cc2cc3)C5N(C=4N=C(N)NC(=O)C=4N5)C6OC(C(O)C6)COP(=O)(O)O)C
InChi:	InChI=1S/C26H27N6O8P/c1-13(33)31(18-7-6-16-8-14-4-2-3-5-15(14)9-17(16)10-18)26-28-22-23(29-25(27)30-24(22)35)32(26)21-11-19(34)20(40-21)12-39-41(36,37)38/h2-10,19-21,26,28,34H,11-12H2,1H3,(H2,36,37,38)(H3,27,29,30,35)/t19-,20+,21+,26+/m0/s1
Definition date:	2010-06-07
Last modified:	2019-05-03
Identifier:	8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)

LD4

LD4
Name:	N-cycloheptylpyrimidin-2-amine
Formula:	C11 H17 N3
SMILES:	n1c(nccc1)NC2CCCCCC2
InChi:	InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptylpyrimidin-2-amine

LD7

LD7
Name:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Formula:	C12 H12 F N3 O2
SMILES:	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
InChi:	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

LDD

LDD
Name:	(azepan-1-yl)(4-methoxyphenyl)methanone
Formula:	C14 H19 N O2
SMILES:	N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:	InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(azepan-1-yl)(4-methoxyphenyl)methanone

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