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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

VJ1

VJ1
Name:	2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Formula:	C34 H68 N O12 P
SMILES:	C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO
InChi:	InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1
Definition date:	2020-08-13
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose

VJ4

VJ4
Name:	2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose
Formula:	C22 H44 N O11 P
SMILES:	N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O
InChi:	InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1
Definition date:	2020-08-13
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose

QQ5

QQ5
Name:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
Formula:	C22 H24 Cl N3 O4
SMILES:	COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CC[CH](O)[CH](C)C4
InChi:	InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-18(13)27)21(28)15-9-17-20(19(10-15)29-2)30-22(25-17)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,18,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,18-/m1/s1
Definition date:	2020-07-23
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone

QQE

QQE
Name:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
Formula:	C24 H28 Cl N3 O5
SMILES:	COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO
InChi:	InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15+,19-/m0/s1
Definition date:	2020-07-24
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone

QQK

QQK
Name:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
Formula:	C26 H32 Cl N3 O5
SMILES:	CC[CH]1CO[C](C)(CCO)CN1C(=O)c2cc(OC)c3oc(N[CH](C)c4cccc(Cl)c4)nc3c2
InChi:	InChI=1S/C26H32ClN3O5/c1-5-20-14-34-26(3,9-10-31)15-30(20)24(32)18-12-21-23(22(13-18)33-4)35-25(29-21)28-16(2)17-7-6-8-19(27)11-17/h6-8,11-13,16,20,31H,5,9-10,14-15H2,1-4H3,(H,28,29)/t16-,20-,26+/m1/s1
Definition date:	2020-07-24
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone

QQT

QQT
Name:	[2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
Formula:	C24 H27 Cl F N3 O5
SMILES:	COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO
InChi:	InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14-,18-,20+/m0/s1
Definition date:	2020-07-24
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone

QQW

QQW
Name:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
Formula:	C24 H28 Cl N3 O5
SMILES:	COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO
InChi:	InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1
Definition date:	2020-07-24
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone

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

QTD

QTD
Name:	4-phenoxybenzene-1-sulfonamide
Formula:	C12 H11 N O3 S
SMILES:	c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2
InChi:	InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-phenoxybenzene-1-sulfonamide

QTG

QTG
Name:	4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide
Formula:	C10 H14 F N O2 S
SMILES:	c1c(c(cc(c1)F)C)S(NCCC)(=O)=O
InChi:	InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide

QTJ

QTJ
Name:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C12 H9 Cl F N O3 S
SMILES:	NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O
InChi:	InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

QTM

QTM
Name:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C14 H14 Cl F N2 O3 S
SMILES:	NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F
InChi:	InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

QTS

QTS
Name:	1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
Formula:	C14 H12 Cl N3
SMILES:	n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N
InChi:	InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine

QTV

QTV
Name:	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole
Formula:	C11 H10 F N3 O2
SMILES:	n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O
InChi:	InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole

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

F66

F66
Name:	2-(2-methyl-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2
SMILES:	Cc1[nH]c2ccccc2c1CCN
InChi:	InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
Synonyms:	2-Methyltryptamine
Definition date:	2020-04-01
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-(2-methyl-1~{H}-indol-3-yl)ethanamine

88B

88B
Name:	4-diazanyl-4-oxidanylidene-butanoic acid
Formula:	C4 H8 N2 O3
SMILES:	NNC(=O)CCC(O)=O
InChi:	InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
Definition date:	2019-07-25
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-diazanyl-4-oxidanylidene-butanoic acid

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

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