General Information of the Compound
Compound ID
CP0412203
Compound Name
US9199981, F173
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Structure
Formula
C22H17F2N9O2
Molecular Weight
477.435
Canonical SMILES
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1nnn[nH]1)-c1noc(n1)C1CC(F)(F)C1
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InChI
InChI=1S/C22H17F2N9O2/c1-11-2-3-12(18-27-21(35-30-18)14-7-22(23,24)8-14)6-15(11)26-20(34)16-9-25-17-5-4-13(10-33(16)17)19-28-31-32-29-19/h2-6,9-10,14H,7-8H2,1H3,(H,26,34)(H,28,29,31,32)
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InChIKey
LCVYYYBKDYZYNO-UHFFFAOYSA-N
Physicochemical Property
logP
3.63782
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
139.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
35

"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: 71288587
ChEMBL ID
CHEMBL3970410
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000138 M-07e Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS