General Information of the Compound
Compound ID
CP0092311
Compound Name
US10562854, No. B9
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Structure
Formula
C24H27N3O2
Molecular Weight
389.499
Canonical SMILES
Oc1c(CN2CCN(Cc3ccccc3)CC2)ccn(Cc2ccccc2)c1=O
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InChI
InChI=1S/C24H27N3O2/c28-23-22(11-12-27(24(23)29)18-21-9-5-2-6-10-21)19-26-15-13-25(14-16-26)17-20-7-3-1-4-8-20/h1-12,28H,13-19H2
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InChIKey
YIROCWNERWBGFO-UHFFFAOYSA-N
Physicochemical Property
logP
2.92
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
48.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 10430428
SID: 15450028
ChEMBL ID
CHEMBL3649598
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: PT03142, Vascular endothelial growth factor A, long form
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 12600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12600 nM