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R2Y

R2Y
Name:	N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
Formula:	C27 H37 F2 N5 O2
SMILES:	c1cnc(c2ccc(cc12)CNC(=O)C3CC(CN3C(=O)C(NC4CCCCC4)CC(C)C)(F)F)N
InChi:	InChI=1S/C27H37F2N5O2/c1-17(2)12-22(33-20-6-4-3-5-7-20)26(36)34-16-27(28,29)14-23(34)25(35)32-15-18-8-9-21-19(13-18)10-11-31-24(21)30/h8-11,13,17,20,22-23,33H,3-7,12,14-16H2,1-2H3,(H2,30,31)(H,32,35)/t22-,23+/m1/s1
Definition date:	2020-01-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide

R3A

R3A
Name:	1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide
Formula:	C19 H25 Cl N6 O4 S
SMILES:	C(=O)(C(NS(c1ccc2c(cnc(NC(=N)N)c2c1)Cl)(=O)=O)C(C)C)N3CCOCC3
InChi:	InChI=1S/C19H25ClN6O4S/c1-11(2)16(18(27)26-5-7-30-8-6-26)25-31(28,29)12-3-4-13-14(9-12)17(24-19(21)22)23-10-15(13)20/h3-4,9-11,16,25H,5-8H2,1-2H3,(H4,21,22,23,24)/t16-/m1/s1
Definition date:	2020-01-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide

HWQ

HWQ
Name:	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
Formula:	C16 H22 N6 S
SMILES:	CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3
InChi:	InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile

HWT

HWT
Name:	3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula:	C16 H24 N6 S
SMILES:	CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N
InChi:	InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

HWW

HWW
Name:	3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula:	C20 H32 N6 S
SMILES:	CN(C)CCCN(C)c1nc2cc(sc2c(n1)N(C)CCC#N)C(C)(C)C
InChi:	InChI=1S/C20H32N6S/c1-20(2,3)16-14-15-17(27-16)18(25(6)12-8-10-21)23-19(22-15)26(7)13-9-11-24(4)5/h14H,8-9,11-13H2,1-7H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

HWZ

HWZ
Name:	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile
Formula:	C19 H26 N6
SMILES:	CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N
InChi:	InChI=1S/C19H26N6/c1-23-13-9-15(10-14-23)25(3)19-21-17-8-5-4-7-16(17)18(22-19)24(2)12-6-11-20/h4-5,7-8,15H,6,9-10,12-14H2,1-3H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile

HXE

HXE
Name:	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula:	C18 H26 N6 S
SMILES:	CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
InChi:	InChI=1S/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

HXN

HXN
Name:	3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
Formula:	C18 H25 Br N6
SMILES:	CN(C)CCCN(C)c1nc2ccc(Br)cc2c(n1)N(C)CCC#N
InChi:	InChI=1S/C18H25BrN6/c1-23(2)10-6-12-25(4)18-21-16-8-7-14(19)13-15(16)17(22-18)24(3)11-5-9-20/h7-8,13H,5-6,10-12H2,1-4H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile

HXQ

HXQ
Name:	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
Formula:	C24 H36 N8 O2 S
SMILES:	CCN(C)c1nc(nc2ccc(cc12)[S](=O)(=O)Nc3c(C)nn(C)c3C)N(C)C4CCN(C)CC4
InChi:	InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide

HXW

HXW
Name:	2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile
Formula:	C19 H24 N6 S
SMILES:	CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[CH]4CC#N
InChi:	InChI=1S/C19H24N6S/c1-23-11-6-14(7-12-23)24(2)19-21-16-8-13-26-17(16)18(22-19)25-10-3-4-15(25)5-9-20/h3,8,10,13-15H,4-7,11-12H2,1-2H3/t15-/m0/s1
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile

HZ5

HZ5
Name:	~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide
Formula:	C7 H13 N3 O2 S
SMILES:	Cn1nc(C)c(N[S](C)(=O)=O)c1C
InChi:	InChI=1S/C7H13N3O2S/c1-5-7(9-13(4,11)12)6(2)10(3)8-5/h9H,1-4H3
Definition date:	2019-01-04
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide

HZ8

HZ8
Name:	~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Formula:	C18 H27 N5
SMILES:	CCN(C)c1nc(nc2ccccc12)N(C)C3CCN(C)CC3
InChi:	InChI=1S/C18H27N5/c1-5-22(3)17-15-8-6-7-9-16(15)19-18(20-17)23(4)14-10-12-21(2)13-11-14/h6-9,14H,5,10-13H2,1-4H3
Definition date:	2019-01-04
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

RFG

RFG
Name:	3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
Formula:	C19 H19 N9 O2
SMILES:	C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn(nc3OC)c4cnccn4)=O
InChi:	InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29)
Definition date:	2020-02-11
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide

N7J

N7J
Name:	(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
Formula:	C7 H7 N3 O4 S
SMILES:	c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N
InChi:	InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

N7S

N7S
Name:	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O5 S
SMILES:	c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O
InChi:	InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

N7V

N7V
Name:	3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
Formula:	C15 H13 N3 O6 S
SMILES:	c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3)[N+]([O-])=O)C)=O
InChi:	InChI=1S/C15H13N3O6S/c1-9(10-2-4-11(5-3-10)18(20)21)17-13-8-12(25(16,22)23)6-7-14(13)24-15(17)19/h2-9H,1H3,(H2,16,22,23)/t9-/m0/s1
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

N84

N84
Name:	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
Formula:	C13 H14 N4 O4 S
SMILES:	c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O
InChi:	InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide

N8A

N8A
Name:	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide
Formula:	C14 H16 N4 O4 S
SMILES:	c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O
InChi:	InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide

OAJ

OAJ
Name:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	OC(C1COCCN1C(Cc2ccc(cc2)Oc3cc(C)c(cc3)C#N)=O)=O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m1/s1
Definition date:	2019-06-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

OAV

OAV
Name:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
Formula:	C23 H24 N4 O2
SMILES:	c3(cc(Oc2ccc(CC(N(CC)CCn1cccn1)=O)cc2)ccc3C#N)C
InChi:	InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3
Definition date:	2019-06-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

OJH

OJH
Name:	~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
Formula:	C20 H25 Br N4 O5 S
SMILES:	C[CH]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc2Br
InChi:	InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20+/m0/s1
Definition date:	2020-03-16
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide

OMJ

OMJ
Name:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	O=C(C1COCCN1C(=O)Cc3ccc(Oc2cc(C)c(cc2)C#N)cc3)O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m0/s1
Definition date:	2019-06-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

ONQ

ONQ
Name:	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
Formula:	C10 H12 N2 O3
SMILES:	COc1ccc(cc1)C(=O)NCC(N)=O
InChi:	InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
Definition date:	2020-03-23
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

ONY

ONY
Name:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
Formula:	C22 H22 N4 O3
SMILES:	CN(CCc1noc(n1)C)C(=O)Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C
InChi:	InChI=1S/C22H22N4O3/c1-15-12-20(9-6-18(15)14-23)28-19-7-4-17(5-8-19)13-22(27)26(3)11-10-21-24-16(2)29-25-21/h4-9,12H,10-11,13H2,1-3H3
Definition date:	2019-07-01
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

Q0P

Q0P
Name:	(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid
Formula:	C18 H20 N3 O8 P
SMILES:	C(/c1c(c(C)ncc1COP(O)(O)=O)O)=NC(CC(c2ccccc2N)=O)C(O)=O
InChi:	InChI=1S/C18H20N3O8P/c1-10-17(23)13(11(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)6-16(22)12-4-2-3-5-14(12)19/h2-5,7-8,15,23H,6,9,19H2,1H3,(H,24,25)(H2,26,27,28)/b21-8+/t15-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid

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