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LBK

LBK
Name:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
Formula:	C18 H19 N3 O2
SMILES:	COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC
InChi:	InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

LBQ

LBQ
Name:	4-(furan-2-ylmethylamino)benzenesulfonamide
Formula:	C11 H12 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc(NCc2occc2)cc1
InChi:	InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(furan-2-ylmethylamino)benzenesulfonamide

LC8

LC8
Name:	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
Formula:	C11 H11 N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C11H11N3O5S/c12-20(17,18)9-3-4-10(11(6-9)14(15)16)13-7-8-2-1-5-19-8/h1-6,13H,7H2,(H2,12,17,18)
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide

FFR

FFR
Name:	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
Formula:	C30 H27 F N6 O4
SMILES:	OC(=O)c1ccc2nc(CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH]6CCO6)c2n1
InChi:	InChI=1S/C30H27FN6O4/c31-23-14-19(15-32)4-5-21(23)18-41-28-3-1-2-24(34-28)20-8-11-36(12-9-20)17-27-33-25-6-7-26(30(38)39)35-29(25)37(27)16-22-10-13-40-22/h1-8,14,22H,9-13,16-18H2,(H,38,39)/t22-/m0/s1
Definition date:	2020-05-11
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid

E4U

E4U
Name:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
Formula:	C23 H26 B Cl2 N3 O4
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3cc(Cl)ccc3Cl)B(O)O
InChi:	InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
Definition date:	2019-10-16
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid

E5Z

E5Z
Name:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
Formula:	C15 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2
InChi:	InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide

E68

E68
Name:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
Formula:	C14 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C14H17N5O4S/c15-24(22,23)12-3-1-10(2-4-12)14(21)18-8-13(20)17-6-5-11-7-16-9-19-11/h1-4,7,9H,5-6,8H2,(H,16,19)(H,17,20)(H,18,21)(H2,15,22,23)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide

E6B

E6B
Name:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
Formula:	C12 H14 N4 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide

M9Q

M9Q
Name:	ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate
Formula:	C32 H46 O5
SMILES:	CCOC(=O)C=CC1(CC1)[CH](O)C=C[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C
InChi:	InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14-,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1
Definition date:	2019-10-09
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate

N2E

N2E
Name:	~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
Formula:	C23 H18 F N7 O2
SMILES:	Cc1oc(c(C)n1)C(=O)Nc2ccc(F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C
InChi:	InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)
Definition date:	2019-11-07
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N6H

N6H
Name:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
Formula:	C22 H24 Cl N3 O4
SMILES:	COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CCOC(C)(C)C4
InChi:	InChI=1S/C22H24ClN3O4/c1-22(2)13-26(7-8-29-22)20(27)15-10-17-19(18(11-15)28-3)30-21(25-17)24-12-14-5-4-6-16(23)9-14/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,24,25)
Definition date:	2019-11-14
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

N8Q

N8Q
Name:	4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione
Formula:	C12 H14 N4 O S
SMILES:	S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3
InChi:	InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
Definition date:	2019-11-15
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione

LDK

LDK
Name:	(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
Formula:	C10 H16 N2 O10 S
SMILES:	OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
Definition date:	2019-08-05
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid

LDQ

LDQ
Name:	Hosieine
Formula:	C15 H20 N2 O
SMILES:	C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13
InChi:	InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1
Definition date:	2019-08-05
Last modified:	2020-08-21
Release date:	2020-08-26

LDW

LDW
Name:	5-(4-fluoranylphenoxy)pyridin-2-amine
Formula:	C11 H9 F N2 O
SMILES:	Nc1ccc(Oc2ccc(F)cc2)cn1
InChi:	InChI=1S/C11H9FN2O/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)
Definition date:	2019-08-08
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	5-(4-fluoranylphenoxy)pyridin-2-amine

LEQ

LEQ
Name:	5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
Formula:	C14 H14 N2 O2 S
SMILES:	CN1C=C(C=CC1=O)C(=O)N2CCc3sccc3C2
InChi:	InChI=1S/C14H14N2O2S/c1-15-8-11(2-3-13(15)17)14(18)16-6-4-12-10(9-16)5-7-19-12/h2-3,5,7-8H,4,6,9H2,1H3
Definition date:	2019-08-09
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one

LEZ

LEZ
Name:	~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine
Formula:	C21 H24 Cl N3
SMILES:	Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c1
InChi:	InChI=1S/C21H24ClN3/c22-18-5-3-4-16(12-18)13-23-19-8-10-25(11-9-19)15-17-14-24-21-7-2-1-6-20(17)21/h1-7,12,14,19,23-24H,8-11,13,15H2
Definition date:	2019-08-10
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine

LHK

LHK
Name:	(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
Formula:	C9 H14 N2 O10 S
SMILES:	OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H14N2O10S/c12-6(13)2-1-4(8(16)17)10-22(20,21)11-5(9(18)19)3-7(14)15/h4-5,10-11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5-/m0/s1
Definition date:	2019-08-15
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid

LW8

LW8
Name:	trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Formula:	C9 H16 N3 O2 S
SMILES:	C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O
InChi:	InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2019-08-30
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

DV6

DV6
Name:	[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
Formula:	C9 H18 N3 O2 S2
SMILES:	C[N+](C)(C)[CH](CC1=CN[CH](N1)SS)C(O)=O
InChi:	InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(2~{S})-3-[(2~{S})-2-(disulfanyl)-2,3-dihydro-1~{H}-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

F4U

F4U
Name:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
Formula:	C13 H10 N2 O5
SMILES:	Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
InChi:	InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1
Definition date:	2020-03-26
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione

QF4

QF4
Name:	benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
Formula:	C23 H26 F N5 O4 S
SMILES:	N3(S(F)(=Nc2cccc(CC(C#N)NC(=O)OCc1ccccc1)c2)=O)CCC(CC3)C(=O)N
InChi:	InChI=1S/C23H26FN5O4S/c24-34(32,29-11-9-19(10-12-29)22(26)30)28-20-8-4-7-18(13-20)14-21(15-25)27-23(31)33-16-17-5-2-1-3-6-17/h1-8,13,19,21H,9-12,14,16H2,(H2,26,30)(H,27,31)/t21-,34-/m0/s1
Definition date:	2019-10-21
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate

QMT

QMT
Name:	2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
Formula:	C21 H22 N4 O2
SMILES:	Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc4O
InChi:	InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1
Synonyms:	MW278
Definition date:	2020-07-06
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol

QMW

QMW
Name:	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
Formula:	C15 H18 N4 O2
SMILES:	Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O
InChi:	InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)
Synonyms:	DP28
Definition date:	2020-07-06
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol

QPW

QPW
Name:	2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide
Formula:	C24 H28 Cl N3 O4
SMILES:	CCCN(C[CH]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2
InChi:	InChI=1S/C24H28ClN3O4/c1-3-8-28(14-17-7-9-31-15-17)23(29)18-11-20-22(21(12-18)30-2)32-24(27-20)26-13-16-5-4-6-19(25)10-16/h4-6,10-12,17H,3,7-9,13-15H2,1-2H3,(H,26,27)/t17-/m0/s1
Definition date:	2020-07-22
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide

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