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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

OKZ

OKZ
Name:	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
Formula:	C13 H14 N2 O4 S
SMILES:	CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
Definition date:	2020-03-19
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide

OL8

OL8
Name:	~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
Formula:	C15 H10 N2 O4
SMILES:	O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3
InChi:	InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)
Definition date:	2020-03-19
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide

R7V

R7V
Name:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
Formula:	C30 H29 F8 N O5 S
SMILES:	c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F
InChi:	InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
Definition date:	2020-02-06
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid

RGD

RGD
Name:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
Formula:	C14 H23 N O4
SMILES:	C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO
InChi:	InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone

RGM

RGM
Name:	(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
Formula:	C14 H17 N3 O2
SMILES:	C1(=O)C43C(CC(c2cncc12)N3C)CN(C(C)=O)C4
InChi:	InChI=1S/C14H17N3O2/c1-8(18)17-6-9-3-12-10-4-15-5-11(10)13(19)14(9,7-17)16(12)2/h4-5,9,12,15H,3,6-7H2,1-2H3/t9-,12-,14+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one

RGV

RGV
Name:	(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
Formula:	C13 H15 N3 O2
SMILES:	C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C
InChi:	InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde

RGY

RGY
Name:	(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
Formula:	C12 H17 N3 O2
SMILES:	N1(C3c4onc(C)c4C(C12C(CNC2)C3)O)C
InChi:	InChI=1S/C12H17N3O2/c1-6-9-10(17-14-6)8-3-7-4-13-5-12(7,11(9)16)15(8)2/h7-8,11,13,16H,3-5H2,1-2H3/t7-,8-,11+,12+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol

RH7

RH7
Name:	methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
Formula:	C13 H15 N3 O3
SMILES:	c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4
InChi:	InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate

RHG

RHG
Name:	(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
Formula:	C10 H15 F3 N2 O3 S
SMILES:	C2NCC13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3
InChi:	InChI=1S/C10H15F3N2O3S/c11-10(12,13)19(16,17)15-4-7-3-8-1-2-14-5-9(7,6-15)18-8/h7-8,14H,1-6H2/t7-,8+,9+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine

RHV

RHV
Name:	ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
Formula:	C13 H18 N2 O3
SMILES:	C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1
InChi:	InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate

RHY

RHY
Name:	1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one
Formula:	C12 H15 N3 O2
SMILES:	C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4
InChi:	InChI=1S/C12H15N3O2/c1-7(16)15-4-8-2-10-11-9(13-6-14-11)3-12(8,5-15)17-10/h6,8,10H,2-5H2,1H3,(H,13,14)/t8-,10-,12+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one

RJ4

RJ4
Name:	(4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde
Formula:	C11 H13 N3 O2
SMILES:	O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34
InChi:	InChI=1S/C11H13N3O2/c15-6-14-3-7-1-9-10-8(12-5-13-10)2-11(7,4-14)16-9/h5-7,9H,1-4H2,(H,12,13)/t7-,9-,11+/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08

RJD

RJD
Name:	(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
Formula:	C15 H26 N4 O2
SMILES:	C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O
InChi:	InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide

RJG

RJG
Name:	(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
Formula:	C16 H18 N2 O
SMILES:	N13C5CC2CNCC12C(CC5c4c(C3)cccc4)=O
InChi:	InChI=1S/C16H18N2O/c19-15-6-13-12-4-2-1-3-10(12)8-18-14(13)5-11-7-17-9-16(11,15)18/h1-4,11,13-14,17H,5-9H2/t11-,13-,14-,16+/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one

RJJ

RJJ
Name:	(5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide
Formula:	C16 H25 N3 O
SMILES:	c1cc(ccc1)CNC(C2(CC)CCN(C)CCN2)=O
InChi:	InChI=1S/C16H25N3O/c1-3-16(9-11-19(2)12-10-18-16)15(20)17-13-14-7-5-4-6-8-14/h4-8,18H,3,9-13H2,1-2H3,(H,17,20)/t16-/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide

RK1

RK1
Name:	(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide
Formula:	C17 H25 N3 O
SMILES:	C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C
InChi:	InChI=1S/C17H25N3O/c1-3-17(10-11-18-12-13-20(17)4-2)16(21)19-14-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,19,21)/t17-/m1/s1
Definition date:	2020-02-13
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide

RKG

RKG
Name:	methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate
Formula:	C12 H15 N3 O3
SMILES:	C3C21C(CN(C(OC)=O)C1)CC(O2)c4c3ncn4
InChi:	InChI=1S/C12H15N3O3/c1-17-11(16)15-4-7-2-9-10-8(13-6-14-10)3-12(7,5-15)18-9/h6-7,9H,2-5H2,1H3,(H,13,14)/t7-,9-,12+/m0/s1
Definition date:	2020-02-13
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate

RKJ

RKJ
Name:	(4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
Formula:	C14 H21 N3 O2
SMILES:	N1(C3c4onc(C)c4C(C12C(CN(C2)CC)C3)O)C
InChi:	InChI=1S/C14H21N3O2/c1-4-17-6-9-5-10-12-11(8(2)15-19-12)13(18)14(9,7-17)16(10)3/h9-10,13,18H,4-7H2,1-3H3/t9-,10-,13+,14+/m0/s1
Definition date:	2020-02-13
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol

22D

22D
Name:	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
Formula:	C14 H12 N6 O3
SMILES:	O=C(O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3
InChi:	InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
Definition date:	2013-08-22
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid

JQE

JQE
Name:	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid
Formula:	C10 H6 Cl2 O2 S
SMILES:	OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12
InChi:	InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14)
Definition date:	2019-03-20
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid

JQW

JQW
Name:	4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine
Formula:	C12 H8 Cl2 N4
SMILES:	Nc1nccc(n1)c2c[nH]c3c(Cl)c(Cl)ccc23
InChi:	InChI=1S/C12H8Cl2N4/c13-8-2-1-6-7(5-17-11(6)10(8)14)9-3-4-16-12(15)18-9/h1-5,17H,(H2,15,16,18)
Definition date:	2019-03-21
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine

JRE

JRE
Name:	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide
Formula:	C16 H17 Cl N4 O2
SMILES:	C[CH](O)c1c(Cl)cncc1c2cnc3N(CCCc3c2)C(N)=O
InChi:	InChI=1S/C16H17ClN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1
Definition date:	2019-03-21
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide

JTW

JTW
Name:	4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
Formula:	C15 H15 Cl N2 O6 S2
SMILES:	N[S](=O)(=O)c1cc(C(=O)NCCO)c(cc1Cl)[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C15H15ClN2O6S2/c16-12-9-13(25(21,22)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)26(17,23)24/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,23,24)
Definition date:	2019-03-27
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide

LOY

LOY
Name:	5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
Formula:	C27 H44 N9 O11 P S2
SMILES:	N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)=O)(C)C)O)=O)=O
InChi:	InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16-,17+,20-,21-,22+,26-/m1/s1
Definition date:	2019-03-07
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine

<903 904 905 906 907 908 909910911 912 913 914 915 916 917 918 >

238582

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