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K0Z

K0Z
Name:	(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
Formula:	C13 H9 Br N4 O3 S
SMILES:	COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(Br)nn2
InChi:	InChI=1S/C13H9BrN4O3S/c1-21-10-5-7(2-3-9(10)19)4-8(6-15)11(20)16-13-18-17-12(14)22-13/h2-5,19H,1H3,(H,16,18,20)/b8-4+
Definition date:	2019-04-14
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide

K1B

K1B
Name:	(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
Formula:	C12 H6 Br N5 O4 S
SMILES:	Oc1ccc(C=C(C#N)C(=O)Nc2sc(Br)nn2)cc1[N+]([O-])=O
InChi:	InChI=1S/C12H6BrN5O4S/c13-11-16-17-12(23-11)15-10(20)7(5-14)3-6-1-2-9(19)8(4-6)18(21)22/h1-4,19H,(H,15,17,20)/b7-3+
Definition date:	2019-04-15
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide

QPV

QPV
Name:	3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
Formula:	C21 H23 Cl N2 O2
SMILES:	C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O
InChi:	InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
Definition date:	2019-12-06
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide

5U0

5U0
Name:	s-farnesyl-l-cysteine methyl ester
Formula:	C19 H33 N O2 S
SMILES:	COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1
Definition date:	2015-12-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate

S3O

S3O
Name:	N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Formula:	C18 H21 N3 O
SMILES:	C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C
InChi:	InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
Definition date:	2019-10-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide

DKU

DKU
Name:	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:	C25 H20 N2 O2
SMILES:	Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
InChi:	InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3
Definition date:	2019-08-09
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

DL0

DL0
Name:	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:	C25 H19 Cl N2 O2
SMILES:	Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5
InChi:	InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
Definition date:	2019-08-09
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

RU4

RU4
Name:	4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
Formula:	C11 H11 N3 O2 S
SMILES:	N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
InChi:	InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
Definition date:	2020-02-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate

RUV

RUV
Name:	4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
Formula:	C11 H11 N5 O2
SMILES:	N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2
InChi:	InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)
Definition date:	2020-02-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide

RUY

RUY
Name:	4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
Formula:	C7 H12 N4 O
SMILES:	N2(c1nonc1N)CCCCC2
InChi:	InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
Definition date:	2020-02-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine

DU9

DU9
Name:	6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
Formula:	C27 H35 F N6 O3
SMILES:	C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5
InChi:	InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+
Definition date:	2019-08-28
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

8JF

8JF
Name:	N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
Formula:	C18 H17 N3 O
SMILES:	c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3
InChi:	InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
Definition date:	2019-10-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide

8XY

8XY
Name:	6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
Formula:	C17 H11 Br N2 O S
SMILES:	c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4
InChi:	InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
Definition date:	2017-03-18
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

C7
Name:	N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
Formula:	C17 H15 F3 N2 O3
SMILES:	O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O
InChi:	InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)
Definition date:	2019-03-27
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide

DYR

DYR
Name:	2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide
Formula:	C21 H14 Cl N3 O
SMILES:	Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24
InChi:	InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-carbazol-9-yl-~{N}-(2-chloranyl-6-cyano-phenyl)ethanamide

DYU

DYU
Name:	~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Formula:	C22 H23 N3 O S
SMILES:	Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(C)c(C)c4)c(C)c1
InChi:	InChI=1S/C22H23N3OS/c1-13-5-8-20(16(4)9-13)25-21(18-11-27-12-19(18)24-25)23-22(26)17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,23,26)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide

DYX

DYX
Name:	1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Formula:	C24 H24 Cl N3 O4 S
SMILES:	COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)C4(CCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C24H24ClN3O4S/c1-32-19-10-8-18(9-11-19)28-22(20-14-33(30,31)15-21(20)27-28)26-23(29)24(12-2-3-13-24)16-4-6-17(25)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,26,29)
Definition date:	2019-09-20
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	1-(4-chlorophenyl)-~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

GN6

GN6
Name:	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
Formula:	C12 H8 Cl2 N4
SMILES:	n12nc(nc1cccc2c3cccc(c3Cl)Cl)N
InChi:	InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
Definition date:	2019-10-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine

KQ8

KQ8
Name:	(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
Formula:	C15 H26 N4 O7 S2
SMILES:	C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11+/m1/s1
Definition date:	2019-06-14
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	(2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid

JMK

JMK
Name:	2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
Formula:	C20 H20 N4 S
SMILES:	C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4
InChi:	InChI=1S/C20H20N4S/c1-2-6-17-16(5-1)15(13-21-17)14-23-9-11-24(12-10-23)20-22-18-7-3-4-8-19(18)25-20/h1-8,13,21H,9-12,14H2
Definition date:	2019-03-12
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole

JMN

JMN
Name:	(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
Formula:	C16 H21 N O2
SMILES:	Cc1ccc(O[CH]2CCN(CC#C)C[CH]2O)cc1C
InChi:	InChI=1S/C16H21NO2/c1-4-8-17-9-7-16(15(18)11-17)19-14-6-5-12(2)13(3)10-14/h1,5-6,10,15-16,18H,7-9,11H2,2-3H3/t15-,16-/m0/s1
Definition date:	2019-03-12
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	(3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol

JMT

JMT
Name:	3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
Formula:	C20 H20 N4 O S
SMILES:	Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1
InChi:	InChI=1S/C20H20N4OS/c25-15-5-6-17-16(11-15)14(12-21-17)13-23-7-9-24(10-8-23)20-22-18-3-1-2-4-19(18)26-20/h1-6,11-12,21,25H,7-10,13H2
Definition date:	2019-03-12
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol

JMW

JMW
Name:	3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol
Formula:	C20 H19 Cl N4 O S
SMILES:	Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccc(Cl)cc5n4)c2c1
InChi:	InChI=1S/C20H19ClN4OS/c21-14-1-4-19-18(9-14)23-20(27-19)25-7-5-24(6-8-25)12-13-11-22-17-3-2-15(26)10-16(13)17/h1-4,9-11,22,26H,5-8,12H2
Definition date:	2019-03-12
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol

JQ2

JQ2
Name:	3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C34 H38 N4 O6
SMILES:	CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5CC)C)c(C)c4CCC(O)=O)C(=C3CCN2C1=O)CCC(O)=O
InChi:	InChI=1S/C34H38N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h14-16,35H,6-13H2,1-5H3,(H,37,43)(H,39,40)(H,41,42)/b26-14-,28-15-
Definition date:	2019-03-15
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

N18

N18
Name:	methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
Formula:	C9 H11 N3 O5
SMILES:	N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O
InChi:	InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16)
Definition date:	2019-07-23
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate

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