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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

NW4

NW4
Name:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
Formula:	C13 H23 N O2
SMILES:	N1(CCOCC1)C(=O)CCC2CCCCC2
InChi:	InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one

B9O

B9O
Name:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H24 N2 O2 S
SMILES:	N(C(C(=O)NC(Cc2c1ccccc1sc2)CO)C(C)C)C
InChi:	InChI=1S/C17H24N2O2S/c1-11(2)16(18-3)17(21)19-13(9-20)8-12-10-22-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,18,20H,8-9H2,1-3H3,(H,19,21)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide

B9R

B9R
Name:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H25 N3 O2
SMILES:	N(C)C(C(NC(Cc2c1c(cccc1)nc2)CO)=O)C(C)C
InChi:	InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide

OXV

OXV
Name:	~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Formula:	C33 H44 N4 O5 S
SMILES:	CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n]1c(Cc2cc[n](C)c3ccccc23)sc4ccccc14
InChi:	InChI=1S/C33H44N4O5S/c1-3-4-13-31(38)34-15-18-40-20-22-42-23-21-41-19-16-35-32(39)25-37-29-11-7-8-12-30(29)43-33(37)24-26-14-17-36(2)28-10-6-5-9-27(26)28/h5-12,14,17H,3-4,13,15-16,18-25H2,1-2H3,(H,34,38)(H,35,39)
Definition date:	2019-07-15
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

JJN

JJN
Name:	(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one
Formula:	C22 H25 N3 O
SMILES:	CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3
InChi:	InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1
Definition date:	2019-02-28
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one

XX0

XX0
Name:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
Formula:	C12 H14 Cl2 N2 O4 S
SMILES:	C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl
InChi:	InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
Definition date:	2019-07-03
Last modified:	2019-07-19
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide

K9T

K9T
Name:	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate
Formula:	C21 H23 N4 O7 P S2
SMILES:	CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO[P](O)(O)=O
InChi:	InChI=1S/C21H23N4O7PS2/c1-21(2,3)35(29,30)19-9-14-15(10-17(19)31-6-7-32-33(26,27)28)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-34-18/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,25)(H2,26,27,28)
Definition date:	2019-05-08
Last modified:	2019-07-12
Release date:	2019-07-17
Identifier:	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate

KA2

KA2
Name:	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
Formula:	C21 H22 N4 O4 S2
SMILES:	CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO
InChi:	InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)
Definition date:	2019-05-08
Last modified:	2019-07-12
Release date:	2019-07-17
Identifier:	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol

D4L

D4L
Name:	2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C25 H29 N7 O
SMILES:	Cc1ccc2nc(C)c(nc2c1)c3cc4nc(cc(NC5CCOCC5)n4n3)N6CCCC6
InChi:	InChI=1S/C25H29N7O/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3
Definition date:	2019-06-25
Last modified:	2019-07-12
Release date:	2019-07-17
Identifier:	2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine

G8E

G8E
Name:	3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide
Formula:	C20 H20 N6 O4 S
SMILES:	Nc1ncc(nc1C(=O)Nc2cccnc2)c3ccc(cc3)[S](=O)(=O)N4CCOCC4
InChi:	InChI=1S/C20H20N6O4S/c21-19-18(20(27)24-15-2-1-7-22-12-15)25-17(13-23-19)14-3-5-16(6-4-14)31(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,21,23)(H,24,27)
Definition date:	2018-09-05
Last modified:	2019-07-12
Release date:	2019-07-17
Identifier:	3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide

NWP

NWP
Name:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
Formula:	C9 H20 N2 O3 S
SMILES:	N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1
InChi:	InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide

XL9

XL9
Name:	N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
Formula:	C24 H26 Cl2 N4 O4
SMILES:	c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC
InChi:	InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1
Definition date:	2017-11-05
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide

NY1

NY1
Name:	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
Formula:	C10 H14 N2 O2 S
SMILES:	n2c(CC(N1CCOCC1)=O)csc2C
InChi:	InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one

NZ4

NZ4
Name:	N-(3-acetylphenyl)morpholine-4-carboxamide
Formula:	C13 H16 N2 O3
SMILES:	N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
InChi:	InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-(3-acetylphenyl)morpholine-4-carboxamide

L9J

L9J
Name:	(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
Formula:	C40 H54 F2 N6 O9 S
SMILES:	C34CN(C(C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F)C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6c(O4)nc5cc(OC)ccc5n6)C7)=O
InChi:	InChI=1S/C40H54F2N6O9S/c1-7-23-29-20-48(30(23)33(49)46-40(19-24(40)32(41)42)36(51)47-58(53,54)39(5)15-16-39)35(50)31(38(2,3)4)45-37(52)57-28-17-21(28)11-9-8-10-12-26-34(56-29)44-27-18-22(55-6)13-14-25(27)43-26/h13-14,18,21,23-24,28-32H,7-12,15-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1
Definition date:	2019-02-15
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

DU5

DU5
Name:	~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
Formula:	C23 H26 N4 O
SMILES:	O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4
InChi:	InChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28)
Definition date:	2018-01-30
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide

HL7

HL7
Name:	(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
Formula:	C37 H47 N5 O4 S
SMILES:	O=C(NC)OC1CCCC1C6(C2CCN(CC2)CC3CN(C3)c5ccc(S(=O)(c4ccncc4)=O)cc5)CN(Cc7c6cccc7)C
InChi:	InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1
Definition date:	2018-07-10
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate

G3T

G3T
Name:	1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
Formula:	C22 H35 N3 O3
SMILES:	CC(C)(C)N1CCO[CH](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1
InChi:	InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)/t20-/m0/s1
Definition date:	2018-08-23
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea

JTA

JTA
Name:	4-hydroxy-8-nitroquinoline-3-carboxylic acid
Formula:	C10 H6 N2 O5
SMILES:	c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-]
InChi:	InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
Definition date:	2018-09-21
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-hydroxy-8-nitroquinoline-3-carboxylic acid

JWW

JWW
Name:	2-heptylquinoline-3,4-diol
Formula:	C16 H21 N O2
SMILES:	CCCCCCCc1nc2ccccc2c(O)c1O
InChi:	InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
Definition date:	2019-04-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-heptylquinoline-3,4-diol

VX7

VX7
Name:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:	C24 H28 N2 O3
SMILES:	O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O
InChi:	InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
Definition date:	2019-02-25
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

LJV

LJV
Name:	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
Formula:	C17 H13 Cl N4 O
SMILES:	Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N
InChi:	InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
Definition date:	2019-02-27
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile

LJY

LJY
Name:	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
Formula:	C18 H14 Cl N3 O2
SMILES:	COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N
InChi:	InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
Definition date:	2019-02-27
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile

LM7

LM7
Name:	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Formula:	C14 H9 N3 O5
SMILES:	O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O
InChi:	InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)
Definition date:	2019-03-04
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione

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