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VLY

VLY
Name:	1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C20 H18 N4 O S
SMILES:	C2(=O)N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4ccccc4
InChi:	InChI=1S/C20H18N4OS/c1-14(15-9-5-3-6-10-15)26-20-22-18-17(13-21-23(18)2)19(25)24(20)16-11-7-4-8-12-16/h3-14H,1-2H3/t14-/m1/s1
Definition date:	2020-08-27
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VM4

VM4
Name:	6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C20 H18 N4 O2 S
SMILES:	O=C2N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4cc(ccc4)O
InChi:	InChI=1S/C20H18N4O2S/c1-13(14-7-6-10-16(25)11-14)27-20-22-18-17(12-21-23(18)2)19(26)24(20)15-8-4-3-5-9-15/h3-13,25H,1-2H3/t13-/m1/s1
Definition date:	2020-08-27
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VMA

VMA
Name:	1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C19 H17 N5 O S
SMILES:	c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4ccccc4
InChi:	InChI=1S/C19H17N5OS/c1-13(16-10-6-7-11-20-16)26-19-22-17-15(12-21-23(17)2)18(25)24(19)14-8-4-3-5-9-14/h3-13H,1-2H3/t13-/m1/s1
Definition date:	2020-08-27
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VMG

VMG
Name:	5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C22 H22 N4 O2 S
SMILES:	O=C2c1cnn(c1N=C(N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C
InChi:	InChI=1S/C22H22N4O2S/c1-15(17-6-4-3-5-7-17)29-22-24-20-19(14-23-25(20)2)21(28)26(22)18-10-8-16(9-11-18)12-13-27/h3-11,14-15,27H,12-13H2,1-2H3/t15-/m1/s1
Definition date:	2020-08-27
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	5-[4-(2-hydroxyethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VMJ

VMJ
Name:	5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C21 H20 N4 O2 S
SMILES:	O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(C)c4ccccc4
InChi:	InChI=1S/C21H20N4O2S/c1-14(16-6-4-3-5-7-16)28-21-23-19-18(12-22-24(19)2)20(27)25(21)17-10-8-15(13-26)9-11-17/h3-12,14,26H,13H2,1-2H3/t14-/m1/s1
Definition date:	2020-08-27
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

QAH

QAH
Name:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
Formula:	C11 H19 N O10 S
SMILES:	OC[CH]1O[CH](OCC(=N)[CH](O)C=C)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:	InChI=1S/C11H19NO10S/c1-2-6(14)5(12)4-20-11-9(16)10(22-23(17,18)19)8(15)7(3-13)21-11/h2,6-16H,1,3-4H2,(H,17,18,19)/b12-5+/t6-,7+,8-,9+,10-,11+/m0/s1
Definition date:	2020-05-30
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate

WB4

WB4
Name:	N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
Formula:	C30 H29 N5 O2 S2
SMILES:	C(NC(=O)c1cncs1)(CCCCNC(=O)c2c(cccc2)SC)c3nc(cn3)c4cc5ccccc5cc4
InChi:	InChI=1S/C30H29N5O2S2/c1-38-26-12-5-4-10-23(26)29(36)32-15-7-6-11-24(35-30(37)27-18-31-19-39-27)28-33-17-25(34-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-10,12-14,16-19,24H,6-7,11,15H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t24-/m0/s1
Definition date:	2020-10-06
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide

WBA

WBA
Name:	N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
Formula:	C29 H26 F N5 O3 S
SMILES:	c5ccc(c(C(NCCCCC(c1nc(cn1)c3ccc2ccccc2c3)NC(c4cncs4)=O)=O)c5O)F
InChi:	InChI=1S/C29H26FN5O3S/c30-21-8-5-10-24(36)26(21)29(38)32-13-4-3-9-22(35-28(37)25-16-31-17-39-25)27-33-15-23(34-27)20-12-11-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-12,14-17,22,36H,3-4,9,13H2,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1
Definition date:	2020-10-07
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide

WBD

WBD
Name:	2,5-dichloro-1H-benzimidazole
Formula:	C7 H4 Cl2 N2
SMILES:	c21c(nc(Cl)n1)ccc(c2)Cl
InChi:	InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
Definition date:	2020-10-07
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2,5-dichloro-1H-benzimidazole

R4Q

R4Q
Name:	(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
Formula:	C24 H21 Cl F N O6
SMILES:	C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O
InChi:	InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1
Definition date:	2020-09-01
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid

V8G

V8G
Name:	trans-4-butylcyclohexane-1-carboxylic acid
Formula:	C11 H20 O2
SMILES:	C1C(C(=O)O)CCC(C1)CCCC
InChi:	InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-
Definition date:	2020-07-16
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	trans-4-butylcyclohexane-1-carboxylic acid

VBS

VBS
Name:	(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
Formula:	C28 H25 N7 O
SMILES:	c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O
InChi:	InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1
Definition date:	2020-07-24
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one

QLH

QLH
Name:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
Formula:	C16 H15 F3 N4
SMILES:	N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F
InChi:	InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
Definition date:	2020-06-29
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile

UZG

UZG
Name:	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide
Formula:	C22 H20 N4 O3
SMILES:	COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N
InChi:	InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2020-06-08
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide

FWO

FWO
Name:	(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
Formula:	C10 H18 N2 O5
SMILES:	CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
Definition date:	2020-06-25
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

2JP

2JP
Name:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
Formula:	C13 H12 N2 O3
SMILES:	O=C(O)CCC(=O)Nc2ncc1ccccc1c2
InChi:	InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
Definition date:	2013-11-06
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid

WT7

WT7
Name:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
Formula:	C14 H22 N5 O7 P
SMILES:	C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O
InChi:	InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine

VYV

VYV
Name:	4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
Formula:	C15 H18 N4 O5 S2
SMILES:	c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O
InChi:	InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)
Definition date:	2020-09-22
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide

VYY

VYY
Name:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C16 H20 N4 O5 S2
SMILES:	N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2
InChi:	InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-22
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZ1

VZ1
Name:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C17 H22 N4 O5 S2
SMILES:	c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C
InChi:	InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZD

VZD
Name:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C15 H17 F N4 O5 S2
SMILES:	N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O
InChi:	InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

RXN

RXN
Name:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
Synonyms:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Definition date:	2020-10-31
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

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

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

SYZ

SYZ
Name:	N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
Formula:	C13 H14 N2 O3 S
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:	InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
Synonyms:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide

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