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ZINC00880375,ASN 03367445,1-Cyclopentyl-1-(6-ethyl-2-oxo-1,2-dihydro-q

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摘 要:ZINC00880375,ASN 03367445,1-Cyclopentyl-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea, 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea,Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=O)NC4=CC=CC=C4,
[Synonyms]
ZINC00880375
ASN 03367445
1-Cyclopentyl-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea

[Structure]
ZINC00880375,ASN 03367445,1-Cyclopentyl-1-(6-ethyl-2-oxo-1,2-dihydro-q

[ Properties Computed from Structure]
Molecular Weight389.49008 [g/mol]
Molecular FormulaC24H27N3O2
XLogP4.1
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count5
Tautomer Count4
Exact Mass389.210327
MonoIsotopic Mass389.210327
Topological Polar Surface Area61.4
Heavy Atom Count29
Formal Charge0
Complexity620
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: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1/C24H27N3O2/c1-2-17-12-13-22-18(14-17)15-19(23(28)26-22)16-27(21-
10-6-7-11-21)24(29)25-20-8-4-3-5-9-20/h3-5,8-9,12-15,21H,2,6-7,10-11,
16H2,1H3,(H,25,29)(H,26,28)/f/h25-26H

 
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