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PQZ

PQZ
Name:	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula:	C11 H15 N O2
SMILES:	Cc1cc(C(O)=O)c(C)n1CC2CC2
InChi:	InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
Definition date:	2020-04-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

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

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

TV1

TV1
Name:	N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide
Formula:	C27 H37 N5 O4
SMILES:	c1ccc2c(c1)cc(c(n2)OC)c3cnc(n3)C(CCCCCC(CC)(O)O)NC(C4CN(C4)C)=O
InChi:	InChI=1S/C27H37N5O4/c1-4-27(34,35)13-9-5-6-12-22(30-25(33)19-16-32(2)17-19)24-28-15-23(29-24)20-14-18-10-7-8-11-21(18)31-26(20)36-3/h7-8,10-11,14-15,19,22,34-35H,4-6,9,12-13,16-17H2,1-3H3,(H,28,29)(H,30,33)/t22-/m0/s1
Definition date:	2020-04-01
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide

TV7

TV7
Name:	(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide
Formula:	C32 H45 N5 O4
SMILES:	C(C)C(CCCCCC(c3ncc(c1c(nc2c(c1)cccc2)OC)n3)NC(=O)C5CC45CCN(CC)CC4)(O)O
InChi:	InChI=1S/C32H45N5O4/c1-4-32(39,40)14-10-6-7-13-26(35-29(38)24-20-31(24)15-17-37(5-2)18-16-31)28-33-21-27(34-28)23-19-22-11-8-9-12-25(22)36-30(23)41-3/h8-9,11-12,19,21,24,26,39-40H,4-7,10,13-18,20H2,1-3H3,(H,33,34)(H,35,38)/t24-,26+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide

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

BYU

BYU
Name:	N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide
Formula:	C27 H24 Cl2 N6 O3
SMILES:	COc1cc(OC)c(Cl)c(Nc2ncccc2c3cc(Nc4c(C)cccc4NC(=O)C=C)ncn3)c1Cl
InChi:	InChI=1S/C27H24Cl2N6O3/c1-5-22(36)33-17-10-6-8-15(2)25(17)34-21-12-18(31-14-32-21)16-9-7-11-30-27(16)35-26-23(28)19(37-3)13-20(38-4)24(26)29/h5-14H,1H2,2-4H3,(H,30,35)(H,33,36)(H,31,32,34)
Definition date:	2019-03-29
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide

DYF

DYF
Name:	[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Formula:	C19 H36 N3 O8 P
SMILES:	CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C19H36N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h8-9,17,25H,4-7,10-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/b9-8+/t17-/m0/s1
Definition date:	2019-09-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

K9K

K9K
Name:	(10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
Formula:	C19 H27 B N3 O5
SMILES:	NCCN[CH]1CC[CH](CC1)CC2=N[CH]3Cc4cccc(C(O)=O)c4O[B-]3(O)O2
InChi:	InChI=1S/C19H27BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17-23-16-11-13-2-1-3-15(19(24)25)18(13)28-20(16,26)27-17/h1-3,12,14,16,22,26H,4-11,21H2,(H,24,25)/q-1/t12-,14-,16-,20-/m0/s1
Definition date:	2019-05-08
Last modified:	2020-04-30
Release date:	2019-09-11
Identifier:	(7~{R})-5-[[4-(2-azanylethylamino)cyclohexyl]methyl]-3-oxidanyl-2,4-dioxa-6-aza-3-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraene-13-carboxylic acid

NE5

NE5
Name:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
Formula:	C24 H16 N2 O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:	InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/q+1/t20-/m1/s1
Definition date:	2019-11-26
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid

N2Z

N2Z
Name:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
Formula:	C8 H6 Cl N3
SMILES:	Clc1ccccc1c2[nH]cnn2
InChi:	InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole

QSS

QSS
Name:	2-(4-methylpiperazin-1-yl)aniline
Formula:	C11 H17 N3
SMILES:	c1cccc(c1N2CCN(C)CC2)N
InChi:	InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
Definition date:	2019-12-17
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-(4-methylpiperazin-1-yl)aniline

N3Q

N3Q
Name:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
Formula:	C12 H14 Cl2 N4 O2
SMILES:	OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2
InChi:	InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol

N3W

N3W
Name:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1cccc(c1Cl)c2[nH]cnn2
InChi:	InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline

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