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AIDS030738,AIDS-030738,PD143289,7-[3-(1-Amino-isopropyl)pyrrolidinyl]-

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摘 要:AIDS030738,AIDS-030738,PD143289,7-[3-(1-Amino-isopropyl)pyrrolidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxohydroquinoline-3-carboxylic acid, 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-,fluoro-4-oxoquinoline-3-carboxylic acid,C
[Synonyms]
AIDS030738
AIDS-030738
PD143289
7-[3-(1-Amino-isopropyl)pyrrolidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxohydroquinoline-3-carboxylic acid

[Structure]
AIDS030738,AIDS-030738,PD143289,7-[3-(1-Amino-isopropyl)pyrrolidinyl]-

[ Properties Computed from Structure]
Molecular Weight417.473823 [g/mol]
Molecular FormulaC22H28FN3O4
XLogP3.7
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count6
Exact Mass417.206385
MonoIsotopic Mass417.206385
Topological Polar Surface Area96.1
Heavy Atom Count30
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-
fluoro-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: CCOC1=C2C(=CC(=C1N3CCC(C3)C(C)(C)N)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI: InChI=1/C22H28FN3O4/c1-4-30-20-17-14(19(27)15(21(28)29)11-26(17)13-5-6-
13)9-16(23)18(20)25-8-7-12(10-25)22(2,3)24/h9,11-13H,4-8,10,24H2,1-3H3,
(H,28,29)/f/h28H

 
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