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KJY

KJY
Name:	2,4-dihydroxy-3,6-dimethylbenzaldehyde
Formula:	C9 H10 O3
SMILES:	Cc1cc(c(c(O)c1C=O)C)O
InChi:	InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3
Definition date:	2018-12-19
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2,4-dihydroxy-3,6-dimethylbenzaldehyde

H95

H95
Name:	(2~{S},5~{R})-hexane-2,5-diol
Formula:	C6 H14 O2
SMILES:	C[CH](O)CC[CH](C)O
InChi:	InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6+
Definition date:	2018-11-30
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(2~{S},5~{R})-hexane-2,5-diol

9U3

9U3
Name:	N,N,N',N'-tetramethylethane-1,2-diamine
Formula:	C6 H16 N2
SMILES:	CN(C)CCN(C)C
InChi:	InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3
Definition date:	2018-07-31
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-diamine

9WO

9WO
Name:	N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide
Formula:	C22 H22 N6 O
SMILES:	c2c1ccccc1nc2C(NC3CCCN(C3)c4cc(nn4)c5ccncc5)=O
InChi:	InChI=1S/C22H22N6O/c29-22(20-12-16-4-1-2-6-18(16)25-20)24-17-5-3-11-28(14-17)21-13-19(26-27-21)15-7-9-23-10-8-15/h1-2,4,6-10,12-13,17,25H,3,5,11,14H2,(H,24,29)(H,26,27)/t17-/m0/s1
Definition date:	2018-08-22
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide

A8U

A8U
Name:	propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
Formula:	C28 H32 N4 O3
SMILES:	CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(N)CC5
InChi:	InChI=1S/C28H32N4O3/c1-3-16-35-27(34)32-15-14-31(18-19(32)2)26(33)22-5-4-21-8-11-24(30-25(21)17-22)20-6-9-23(10-7-20)28(29)12-13-28/h4-11,17,19H,3,12-16,18,29H2,1-2H3/t19-/m1/s1
Definition date:	2018-10-20
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate

D6X

D6X
Name:	N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
Formula:	C18 H18 N6
SMILES:	Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1
InChi:	InChI=1S/C18H18N6/c1-12-11-13(2)24-18(20-12)22-17(23-24)9-10-19-16-8-7-14-5-3-4-6-15(14)21-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	~{N}-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine

D79

D79
Name:	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
Formula:	C18 H16 N8 O
SMILES:	Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1
InChi:	InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol

D7C

D7C
Name:	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
Formula:	C19 H19 N7 O
SMILES:	C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4
InChi:	InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2~{S})-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

FWK

FWK
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
Formula:	C11 H15 N5 O3
SMILES:	CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C11H15N5O3/c1-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Definition date:	2018-08-04
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol

JP5

JP5
Name:	(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
Formula:	C12 H12 N2 O4
SMILES:	O=C1C[CH](NC(=O)OCc2ccccc2)C(=O)N1
InChi:	InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate

JP8

JP8
Name:	[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
Formula:	C11 H17 N3 O4
SMILES:	O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:	InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate

JPB

JPB
Name:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
Formula:	C11 H7 Cl3 N2 O3
SMILES:	Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1
InChi:	InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide

JPQ

JPQ
Name:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
Formula:	C9 H12 N2 O3
SMILES:	CC(C)=CC(=O)N[CH]1CC(=O)NC1=O
InChi:	InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1
Definition date:	2019-03-15
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide

JPW

JPW
Name:	(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
Formula:	C13 H21 N3 O4
SMILES:	N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O
InChi:	InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1
Definition date:	2019-03-15
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate

NSJ

NSJ
Name:	3-[(thiomorpholin-4-yl)methyl]phenol
Formula:	C11 H15 N O S
SMILES:	N1(CCSCC1)Cc2cccc(c2)O
InChi:	InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-[(thiomorpholin-4-yl)methyl]phenol

K4T

K4T
Name:	~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Formula:	C14 H15 N3 O
SMILES:	Cn1nc(cc1C(=O)NC2CC2)c3ccccc3
InChi:	InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
Definition date:	2019-04-24
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide

NT7

NT7
Name:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
Formula:	C14 H20 N2 O2
SMILES:	N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:	InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

JQP

JQP
Name:	N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
Formula:	C26 H27 F N6
SMILES:	c2(nc(Nc1cc(C)cc(C)c1)ncc2)c5c(c3ccc(F)cc3)ncn5C4CCNCC4
InChi:	InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
Definition date:	2018-09-17
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

K52

K52
Name:	~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
Formula:	C21 H22 N4 O4 S
SMILES:	C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)[S](=O)(=O)NC(C)=O
InChi:	InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1
Definition date:	2019-04-26
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide

K58

K58
Name:	4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
Formula:	C20 H19 N3 O3
SMILES:	C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)/t13-/m1/s1
Definition date:	2019-04-26
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid

JQY

JQY
Name:	N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
Formula:	C26 H27 F N6
SMILES:	c4(c3c(c1ccc(F)cc1)ncn3C2CCNCC2)ccnc(n4)Nc5ccc(c(C)c5)C
InChi:	InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
Definition date:	2018-09-18
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

NTG

NTG
Name:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Formula:	C11 H13 N3 O
SMILES:	N#Cc2ncc(N1CCCOCC1)cc2
InChi:	InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

K5K

K5K
Name:	2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
Formula:	C21 H20 Cl2 N2 O6 S
SMILES:	Cn1c(cc2c(Cl)c(Cl)c(C)cc12)C(=O)N[CH](CO)c3ccc(cc3)[S](=O)(=O)CC(O)=O
InChi:	InChI=1S/C21H20Cl2N2O6S/c1-11-7-16-14(20(23)19(11)22)8-17(25(16)2)21(29)24-15(9-26)12-3-5-13(6-4-12)32(30,31)10-18(27)28/h3-8,15,26H,9-10H2,1-2H3,(H,24,29)(H,27,28)/t15-/m1/s1
Definition date:	2019-04-26
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid

K5N

K5N
Name:	2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
Formula:	C21 H22 N4 O4 S
SMILES:	C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(=O)N[S](C)(=O)=O
InChi:	InChI=1S/C21H22N4O4S/c1-14(15-9-11-17(12-10-15)20(26)24-30(3,28)29)22-21(27)19-13-18(23-25(19)2)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1
Definition date:	2019-04-26
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide

NTV

NTV
Name:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
Formula:	C12 H14 Cl N O2
SMILES:	N(C(=O)C1CCCO1)c2cccc(c2C)Cl
InChi:	InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

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