General Information of the Compound
Compound ID
CP0867688
Compound Name
N-(Adamantan-1-yl)-7-fluoro-4-hydroxy-2-oxo-1-(1-pentyl)-1,4-dihydroquinoline-3-carboxamide
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Structure
Formula
C25H31FN2O3
Molecular Weight
426.532
Canonical SMILES
CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccc(F)cc21
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InChI
InChI=1S/C25H31FN2O3/c1-2-3-4-7-28-20-11-18(26)5-6-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
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InChIKey
QHSJVMXTEFKMQK-UHFFFAOYSA-N
Physicochemical Property
logP
4.735
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
71.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 127034294
ChEMBL ID
CHEMBL3780852
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 19000 nM
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