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Oprea1_347503,Oprea1_771141,ZINC00928482,ASN 04371650, 2-[(7-methoxy-4

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摘 要:Oprea1_347503,Oprea1_771141,ZINC00928482,ASN 04371650, 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,,5-a]quinolin-1-yl)sulfanyl]-1-piperidin-1-ylethanone,Canonical SMILES: CC1=CC2=C(C=CC(=C2)OC)N3C1=NN=C3SCC(=O)N4CCCCC4,InChI: InChI=1/C19H22N4O2S/c1-13-1
[Synonyms]
Oprea1_347503
Oprea1_771141
ZINC00928482
ASN 04371650

[Structure]
Oprea1_347503,Oprea1_771141,ZINC00928482,ASN 04371650, 2-[(7-methoxy-4

[ Properties Computed from Structure]
Molecular Weight370.46858 [g/mol]
Molecular FormulaC19H22N4O2S
XLogP2.8
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass370.146347
MonoIsotopic Mass370.146347
Topological Polar Surface Area59.7
Heavy Atom Count26
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]-1-piperidin-1-ylethanone
Canonical SMILES: CC1=CC2=C(C=CC(=C2)OC)N3C1=NN=C3SCC(=O)N4CCCCC4
InChI: InChI=1/C19H22N4O2S/c1-13-10-14-11-15(25-2)6-7-16(14)23-18(13)20-21-19
(23)26-12-17(24)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,12H2,1-2H3

 
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