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TV8

TV8
Name:	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
Formula:	C12 H17 N5 O4
SMILES:	CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC
InChi:	InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1
Definition date:	2021-01-13
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol

UKM

UKM
Name:	(1R)-1-hydroxybutane-1-sulfonic acid
Formula:	C4 H10 O4 S
SMILES:	C(CCC)(O)S(=O)(O)=O
InChi:	InChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1
Definition date:	2020-05-20
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(1R)-1-hydroxybutane-1-sulfonic acid

UOM

UOM
Name:	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
Formula:	C21 H24 N4 O
SMILES:	CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(cn2)C#N)CC3
InChi:	InChI=1S/C21H24N4O/c1-16(2)19-6-3-17(4-7-19)13-21(26)25-11-9-24(10-12-25)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3
Definition date:	2020-05-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile

UOP

UOP
Name:	4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide
Formula:	C19 H20 N6 O
SMILES:	CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#N)CC3
InChi:	InChI=1S/C19H20N6O/c1-14(2)15-3-5-16(6-4-15)21-19(26)25-11-9-24(10-12-25)18-8-7-17(13-20)22-23-18/h3-9,11,14H,10,12H2,1-2H3,(H,21,26)
Definition date:	2020-05-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide

UOS

UOS
Name:	1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
Formula:	C19 H23 Cl N4 O
SMILES:	c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)CC3)Cl
InChi:	InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)11-19(25)24-9-7-23(8-10-24)18-13-21-17(20)12-22-18/h3-6,12-14H,7-11H2,1-2H3
Definition date:	2020-05-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one

J8F

J8F
Name:	4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
Formula:	C19 H17 N3 O
SMILES:	CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile

J8L

J8L
Name:	4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
Formula:	C19 H20 N6
SMILES:	CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile

J8O

J8O
Name:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
Formula:	C17 H15 N5 O
SMILES:	CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile

J8R

J8R
Name:	4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
Formula:	C18 H16 N4 O
SMILES:	CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile

J8U

J8U
Name:	4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
Formula:	C21 H22 N4
SMILES:	CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile

J8X

J8X
Name:	(~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
Formula:	C19 H17 N3 O2
SMILES:	CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2
InChi:	InChI=1S/C19H17N3O2/c1-22(10-11-23)16-8-6-14(7-9-16)12-15(13-20)19-21-17-4-2-3-5-18(17)24-19/h2-9,12,23H,10-11H2,1H3/b15-12+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile

J93

J93
Name:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
Formula:	C19 H15 N3 O S2
SMILES:	CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N
InChi:	InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile

JA9

JA9
Name:	6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole
Formula:	C14 H9 Cl3 N2 O S
SMILES:	CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1
InChi:	InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
Synonyms:	Triclabendazole
Definition date:	2021-05-07
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole

JAL

JAL
Name:	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
Formula:	C13 H10 Cl2 O2
SMILES:	Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O
InChi:	InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
Synonyms:	Dichlorophen
Definition date:	2021-05-07
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol

XJ3

XJ3
Name:	N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Formula:	C25 H34 N6 O2
SMILES:	CNCCNCc1cccc(c1)c2nc(NC3CCOCC3)c(C)c(n2)c4c(C)onc4C
InChi:	InChI=1S/C25H34N6O2/c1-16-23(22-17(2)31-33-18(22)3)29-25(30-24(16)28-21-8-12-32-13-9-21)20-7-5-6-19(14-20)15-27-11-10-26-4/h5-7,14,21,26-27H,8-13,15H2,1-4H3,(H,28,29,30)
Definition date:	2019-01-10
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	~{N}'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-~{N}-methyl-ethane-1,2-diamine

XJ4

XJ4
Name:	N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Formula:	C26 H30 N6 O
SMILES:	CNCCNCc1cccc(c1)c2nc(Nc3ccccc3)c(C)c(n2)c4c(C)onc4C
InChi:	InChI=1S/C26H30N6O/c1-17-24(23-18(2)32-33-19(23)3)30-26(31-25(17)29-22-11-6-5-7-12-22)21-10-8-9-20(15-21)16-28-14-13-27-4/h5-12,15,27-28H,13-14,16H2,1-4H3,(H,29,30,31)
Definition date:	2019-01-10
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	~{N}'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-~{N}-methyl-ethane-1,2-diamine

YOD

YOD
Name:	(1R,3S,5S,7S)-N-[(1r,4R)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide
Formula:	C25 H36 N2 O S
SMILES:	O=C(NC1CCC(N)CC1)C12CC3CC(CC(CSC)(C3)C1)(C2)c1ccccc1
InChi:	InChI=1S/C25H36N2OS/c1-29-17-23-11-18-12-24(14-23,19-5-3-2-4-6-19)16-25(13-18,15-23)22(28)27-21-9-7-20(26)8-10-21/h2-6,18,20-21H,7-17,26H2,1H3,(H,27,28)/t18-,20-,21-,23-,24+,25-/m0/s1
Definition date:	2021-03-17
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(1R,3S,5S,7S)-N-[(1r,4R)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide

YPM

YPM
Name:	(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide
Formula:	C29 H36 N2 O
SMILES:	O=C(NC1CCC(N)CC1)C12CC3CC(CC(C3)(C1)c1ccccc1)(C2)c1ccccc1
InChi:	InChI=1S/C29H36N2O/c30-24-11-13-25(14-12-24)31-26(32)29-17-21-15-27(19-29,22-7-3-1-4-8-22)18-28(16-21,20-29)23-9-5-2-6-10-23/h1-10,21,24-25H,11-20,30H2,(H,31,32)/t21-,24-,25-,27-,28+,29-
Definition date:	2021-03-19
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide

YPS

YPS
Name:	(1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide
Formula:	C26 H38 N2 O2
SMILES:	O=C(NC1CCC(N)CC1)C12CC3CC(CC(COCC)(C3)C1)(C2)c1ccccc1
InChi:	InChI=1S/C26H38N2O2/c1-2-30-18-24-12-19-13-25(15-24,20-6-4-3-5-7-20)17-26(14-19,16-24)23(29)28-22-10-8-21(27)9-11-22/h3-7,19,21-22H,2,8-18,27H2,1H3,(H,28,29)/t19-,21-,22-,24-,25+,26-/m0/s1
Definition date:	2021-03-19
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	(1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide

Z3V

Z3V
Name:	2-(ethylamino)ethane-1-thiol
Formula:	C4 H11 N S
SMILES:	CCNCCS
InChi:	InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Definition date:	2021-04-08
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	2-(ethylamino)ethane-1-thiol

ZQ7

ZQ7
Name:	2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
Formula:	C39 H77 F2 O8 P
SMILES:	OP(=O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O
InChi:	InChI=1S/C39H77F2O8P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-48-50(46,47)39(40,41)38-37(45)36(44)35(43)34(28-42)49-38/h29-38,42-45H,7-28H2,1-6H3,(H,46,47)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38+/m0/s1
Definition date:	2021-05-19
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol

ZR1

ZR1
Name:	(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Formula:	C22 H23 F3 N4 O3
SMILES:	FC(F)c1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNCCc2c1F
InChi:	InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1
Definition date:	2021-05-21
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

ZR4

ZR4
Name:	7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C17 H16 Cl F N4 O4
SMILES:	Clc1ccc(cc1F)C(O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
Definition date:	2021-05-21
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ZL1

ZL1
Name:	N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Formula:	C27 H20 F2 N4 O4
SMILES:	O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=CN(c2ccc(F)cc2)C1=O)C1CC1
InChi:	InChI=1S/C27H20F2N4O4/c28-17-5-8-19(9-6-17)33-13-1-2-21(27(33)36)26(35)31-18-7-10-23(22(29)14-18)37-20-11-12-30-24(15-20)32-25(34)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,35)(H,30,32,34)
Definition date:	2021-05-03
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

ZP7

ZP7
Name:	(2S)-2,3-dihydroxypropyl hexadecanoate
Formula:	C19 H38 O4
SMILES:	OCC(O)COC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
Definition date:	2021-05-18
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	(2S)-2,3-dihydroxypropyl hexadecanoate

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