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M64

M64
Name:	(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid
Formula:	C10 H18 N2 O3
SMILES:	C1CCN(C(C)C1)C(CC(C(=O)O)N)=O
InChi:	InChI=1S/C10H18N2O3/c1-7-4-2-3-5-12(7)9(13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid

M6J

M6J
Name:	(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid
Formula:	C14 H18 N2 O3
SMILES:	C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2
InChi:	InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid

M6M

M6M
Name:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
Formula:	C25 H31 F2 N5 O5
SMILES:	c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N3C(C)CCCC3)=O)C
InChi:	InChI=1S/C25H31F2N5O5/c1-14-6-4-5-9-32(14)22(33)12-20(30-25(36)21-10-15(2)37-31-21)24(35)29-16(3)23(34)28-13-17-7-8-18(26)11-19(17)27/h7-8,10-11,14,16,20H,4-6,9,12-13H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)/t14-,16-,20-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

M6Y

M6Y
Name:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
Formula:	C29 H31 F2 N5 O5
SMILES:	c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N4CCCC4c3ccccc3)=O)C
InChi:	InChI=1S/C29H31F2N5O5/c1-17-13-24(35-41-17)29(40)34-23(15-26(37)36-12-6-9-25(36)19-7-4-3-5-8-19)28(39)33-18(2)27(38)32-16-20-10-11-21(30)14-22(20)31/h3-5,7-8,10-11,13-14,18,23,25H,6,9,12,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)/t18-,23-,25+/m0/s1
Definition date:	2019-03-26
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

M9D

M9D
Name:	(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine
Formula:	C11 H12 F N3
SMILES:	c2ccc(c1cnc(C(C)N)n1)c(c2)F
InChi:	InChI=1S/C11H12FN3/c1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1
Definition date:	2019-03-27
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine

M9G

M9G
Name:	N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C30 H31 F N6 O4
SMILES:	c1c(onc1C(=O)NC(C(NC(C)c2nc(cn2)c3ccccc3F)=O)CC(N5CCCC5c4ccccc4)=O)C
InChi:	InChI=1S/C30H31FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40)/t19-,23-,26+/m0/s1
Definition date:	2019-03-27
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide

JNN

JNN
Name:	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide
Formula:	C13 H11 Cl2 N3 O4
SMILES:	ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
InChi:	InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
Definition date:	2019-03-13
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide

LCJ

LCJ
Name:	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
Formula:	C16 H14 F I N4 O3
SMILES:	c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
InChi:	InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
Definition date:	2019-02-19
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

KA4

KA4
Name:	N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
Formula:	C19 H12 Cl2 F2 N4 O3 S
SMILES:	Nc1ncc(cn1)C#Cc2c(ccc(c2F)NS(c3c(Cl)c(cc(c3)Cl)CO)(=O)=O)F
InChi:	InChI=1S/C19H12Cl2F2N4O3S/c20-12-5-11(9-28)17(21)16(6-12)31(29,30)27-15-4-3-14(22)13(18(15)23)2-1-10-7-25-19(24)26-8-10/h3-8,27-28H,9H2,(H2,24,25,26)
Definition date:	2018-11-16
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide

KAV

KAV
Name:	N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
Formula:	C23 H19 F3 N6 O2
SMILES:	c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5
InChi:	InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33)
Definition date:	2018-11-16
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide

KCZ

KCZ
Name:	4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
Formula:	C17 H21 N O2
SMILES:	C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2
InChi:	InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1
Definition date:	2019-05-13
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol

ODJ

ODJ
Name:	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
Formula:	C25 H22 N6 O3
SMILES:	c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4
InChi:	InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)
Definition date:	2019-06-21
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide

OOJ

OOJ
Name:	N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Formula:	C20 H15 F3 N6 O2 S2
SMILES:	C(F)(F)(c4cc(NC(Nc3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O)ccc4)F
InChi:	InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
Definition date:	2019-07-02
Last modified:	2019-10-04
Release date:	2019-10-09
Identifier:	N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea

SRV

SRV
Name:	(2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid
Formula:	C45 H84 O11
SMILES:	OC1C(O)C(O)C(OC1C(O)=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCC
InChi:	InChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1
Definition date:	2018-10-18
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid

A6O

A6O
Name:	(2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one
Formula:	C20 H26 O3
SMILES:	CC[C]1(CC=C2CCCc3cc(OC)ccc23)[CH](O)CCC1=O
InChi:	InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1
Definition date:	2018-10-10
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(2~{R},3~{S})-2-ethyl-2-[(2~{E})-2-(6-methoxy-3,4-dihydro-2~{H}-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one

C8O

C8O
Name:	2-(2-azanylethylamino)-5-nitro-benzoic acid
Formula:	C9 H11 N3 O4
SMILES:	NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O
InChi:	InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)
Definition date:	2019-04-15
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-(2-azanylethylamino)-5-nitro-benzoic acid

FCZ

FCZ
Name:	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C16 H17 N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14
InChi:	InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

FDH

FDH
Name:	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C15 H14 Cl N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14
InChi:	InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

FDW

FDW
Name:	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:	C15 H16 N8 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc(N)nc14
InChi:	InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

FE5

FE5
Name:	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C15 H15 N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14
InChi:	InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

GJK

GJK
Name:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
Formula:	C11 H12 O3
SMILES:	COc1cc(C=CC(C)=O)ccc1O
InChi:	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
Definition date:	2018-09-18
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one

KUB

KUB
Name:	4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Formula:	C17 H13 Cl F3 N3 O2 S2
SMILES:	C[CH](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3F
InChi:	InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

LO5

LO5
Name:	1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
Formula:	C13 H17 N O3
SMILES:	C1CO[CH](C1)CNCc2ccc3OCOc3c2
InChi:	InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1
Definition date:	2019-08-28
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine

LOE

LOE
Name:	1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
Formula:	C14 H25 N O2
SMILES:	C1CCN(CC1)C[CH]2COC3(CCCCC3)O2
InChi:	InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1
Definition date:	2019-08-29
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine

LOK

LOK
Name:	methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate
Formula:	C10 H12 N2 O4
SMILES:	COC(=O)Nc1cccc(NC(=O)OC)c1
InChi:	InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
Definition date:	2019-08-29
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate

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