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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

CU0

CU0
Name:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C5 H12 O10 P2
SMILES:	O[CH]1CO[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]1O
InChi:	InChI=1S/C5H12O10P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

CUU

CUU
Name:	[(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C10 H15 N5 O9 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)C[CH]3O
InChi:	InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
Definition date:	2019-05-15
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	[(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

L2J

L2J
Name:	N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
Formula:	C25 H23 F3 N2 O5 S
SMILES:	c3cc2N(c1ccccc1Oc2cc3)C4CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O
InChi:	InChI=1S/C25H23F3N2O5S/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2/t18-,21+,24+/m1/s1
Definition date:	2019-01-31
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide

JTQ

JTQ
Name:	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
Formula:	C13 H10 Cl2 N4
SMILES:	Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N
InChi:	InChI=1S/C13H10Cl2N4/c1-19-5-9(8-4-17-6-18-13(8)16)7-2-3-10(14)11(15)12(7)19/h2-6H,1H3,(H2,16,17,18)
Definition date:	2019-03-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine

JU8

JU8
Name:	5-(1-methylindol-3-yl)pyrimidin-4-amine
Formula:	C13 H12 N4
SMILES:	Cn1cc(c2cncnc2N)c3ccccc13
InChi:	InChI=1S/C13H12N4/c1-17-7-11(9-4-2-3-5-12(9)17)10-6-15-8-16-13(10)14/h2-8H,1H3,(H2,14,15,16)
Definition date:	2019-03-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	5-(1-methylindol-3-yl)pyrimidin-4-amine

JWE

JWE
Name:	5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine
Formula:	C13 H8 Br F N4
SMILES:	Nc1ncc(Br)c2ccc(nc12)c3ccnc(F)c3
InChi:	InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
Definition date:	2019-04-05
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine

N7A

N7A
Name:	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O4 S
SMILES:	c1cc(S(=O)(=O)N)ccc1NC(=O)NCCCCO
InChi:	InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-9(4-6-10)14-11(16)13-7-1-2-8-15/h3-6,15H,1-2,7-8H2,(H2,12,17,18)(H2,13,14,16)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

N7D

N7D
Name:	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O4 S
SMILES:	OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O
InChi:	InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-4-9(8-10)14-11(16)13-6-1-2-7-15/h3-5,8,15H,1-2,6-7H2,(H2,12,17,18)(H2,13,14,16)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

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

N7M

N7M
Name:	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C9 H13 N3 O4 S
SMILES:	c1cc(S(=O)(=O)N)ccc1NC(=O)NCCO
InChi:	InChI=1S/C9H13N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,10,15,16)(H2,11,12,14)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-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

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

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