General Information of the Compound
Compound ID
CP0127607
Compound Name
US8614223, 101
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Structure
Formula
C17H19FN4O2
Molecular Weight
330.363
Canonical SMILES
ONC(=O)c1cnc(NC2(CCCCC2)c2cccc(F)c2)nc1
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InChI
InChI=1S/C17H19FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h4-6,9-11,24H,1-3,7-8H2,(H,22,23)(H,19,20,21)
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InChIKey
IYBURCQQEUNLDL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0062
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
87.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 57382288
SID: 136888293
ChEMBL ID
CHEMBL3655978