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QFN

QFN
Name:	(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
Formula:	C22 H21 Cl N4 O2
SMILES:	CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O
InChi:	InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1
Definition date:	2020-06-15
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one

QU7

QU7
Name:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
Formula:	C28 H34 O
SMILES:	C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC
InChi:	InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1
Synonyms:	SS-RJW100
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol

WZD

WZD
Name:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
Formula:	C12 H11 N3 O
SMILES:	c1cccc2c1nc(n2)NCc3ccco3
InChi:	InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
Definition date:	2020-11-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine

U8M

U8M
Name:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
Formula:	C11 H9 F2 N5
SMILES:	n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N
InChi:	InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)
Definition date:	2020-05-04
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

DJM

DJM
Name:	2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
Formula:	C13 H15 N3 O2 S
SMILES:	Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO
InChi:	InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17)
Definition date:	2017-10-27
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide

G5O

G5O
Name:	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
Formula:	C20 H14 Cl N O5 S
SMILES:	OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
Definition date:	2020-07-28
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid

EGO

EGO
Name:	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
Formula:	C24 H18 Cl F N2 O3
SMILES:	Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4
InChi:	InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30)
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid

EGU

EGU
Name:	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
Formula:	C21 H16 Cl2 F N3 O4 S
SMILES:	COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O
InChi:	InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30)
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid

EJ6

EJ6
Name:	5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
Formula:	C22 H24 Cl F N4 O5 S
SMILES:	C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C
InChi:	InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1
Definition date:	2019-12-27
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide

M7H

M7H
Name:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
Formula:	C21 H24 N4 O2
SMILES:	COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O
InChi:	InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3
Definition date:	2019-10-03
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone

ODG

ODG
Name:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Formula:	C20 H21 N5 O
SMILES:	c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N
InChi:	InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2
Definition date:	2019-06-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

EY0

EY0
Name:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
Formula:	C21 H24 F3 N5 O5 S
SMILES:	CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4
InChi:	InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1
Definition date:	2020-02-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione

4DG

4DG
Name:	2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
Formula:	C8 H12 N5 O6 P
SMILES:	NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1
InChi:	InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
Synonyms:	acyclic guanosine monophosphate
Definition date:	2009-11-09
Last modified:	2020-12-12
Identifier:	2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate

W6A

W6A
Name:	4-chloro-1H-indole-2-carboxylic acid
Formula:	C9 H6 Cl N O2
SMILES:	c2cc1c(cc(C(O)=O)n1)c(c2)Cl
InChi:	InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-chloro-1H-indole-2-carboxylic acid

W6D

W6D
Name:	1H-indole-4-carboxamide
Formula:	C9 H8 N2 O
SMILES:	c2nc1cccc(C(N)=O)c1c2
InChi:	InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1H-indole-4-carboxamide

W6G

W6G
Name:	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Formula:	C8 H7 N3 O2 S2
SMILES:	c1(ccccc1)S(Nc2scnn2)(=O)=O
InChi:	InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

W6J

W6J
Name:	1-(pyridin-2-yl)-1,4-diazepane
Formula:	C10 H15 N3
SMILES:	C2CN(c1ncccc1)CCCN2
InChi:	InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-(pyridin-2-yl)-1,4-diazepane

W6M

W6M
Name:	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
Formula:	C12 H11 N3 O4
SMILES:	c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2
InChi:	InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid

W6P

W6P
Name:	1,3-dihydro-2H-indol-2-one
Formula:	C8 H7 N O
SMILES:	C2(=O)Cc1c(cccc1)N2
InChi:	InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1,3-dihydro-2H-indol-2-one

W6S

W6S
Name:	4-(1H-pyrazol-3-yl)piperidine
Formula:	C8 H13 N3
SMILES:	c2cc(C1CCNCC1)nn2
InChi:	InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-(1H-pyrazol-3-yl)piperidine

W6V

W6V
Name:	N-(1,3-thiazol-2-yl)benzamide
Formula:	C10 H8 N2 O S
SMILES:	c2c(C(=O)Nc1nccs1)cccc2
InChi:	InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-(1,3-thiazol-2-yl)benzamide

W7S

W7S
Name:	N-benzylpyrazine-2-carboxamide
Formula:	C12 H11 N3 O
SMILES:	c2c(CNC(c1cnccn1)=O)cccc2
InChi:	InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-benzylpyrazine-2-carboxamide

W7V

W7V
Name:	(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
Formula:	C11 H15 N3 O
SMILES:	C1CCC3C1(C(N(C)c2cnnc2)=O)C3
InChi:	InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide

W7Y

W7Y
Name:	4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C14 H18 N4
SMILES:	c1(ncnc2nccc12)N4C(C3CCC3)CCC4
InChi:	InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

W8A

W8A
Name:	{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
Formula:	C8 H12 N2 O4 S
SMILES:	CC(C(N1CCNC1=O)=O)SCC(=O)O
InChi:	InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid

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