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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

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

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

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

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

S7D

S7D
Name:	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
Formula:	C10 H15 N3 O2
SMILES:	C[CH]1CN(CCO1)C(=O)Cn2cccn2
InChi:	InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-08-20
Release date:	2020-03-25
Identifier:	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone

M9Z

M9Z
Name:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C24 H28 N8 O4 S
SMILES:	CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4
InChi:	InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MBK

MBK
Name:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MJW

MJW
Name:	2-phenylmethoxyaniline
Formula:	C13 H13 N O
SMILES:	Nc1ccccc1OCc2ccccc2
InChi:	InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
Definition date:	2019-10-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-phenylmethoxyaniline

MKN

MKN
Name:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole
Formula:	C11 H8 N2 S2
SMILES:	[nH]1ccc(n1)c2sc(cc2)c3sccc3
InChi:	InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
Definition date:	2019-10-17
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

MQB

MQB
Name:	2-(1-benzofuran-3-yl)ethanoic acid
Formula:	C10 H8 O3
SMILES:	OC(=O)Cc1coc2ccccc12
InChi:	InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
Definition date:	2019-10-21
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(1-benzofuran-3-yl)ethanoic acid

MUK

MUK
Name:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
Formula:	C12 H13 N3
SMILES:	Cc1cc(C)nc(Nc2ccccc2)n1
InChi:	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
Definition date:	2019-10-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

MZW

MZW
Name:	5-ethyl-1,3,4-thiadiazol-2-amine
Formula:	C4 H7 N3 S
SMILES:	CCc1sc(N)nn1
InChi:	InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
Definition date:	2019-10-30
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-ethyl-1,3,4-thiadiazol-2-amine

N0E

N0E
Name:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide
Formula:	C15 H15 N O2
SMILES:	Oc1ccc(NC(=O)CCc2ccccc2)cc1
InChi:	InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide

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