General Information of the Compound
Compound ID
CP0480282
Compound Name
10-fluoro-9-(4-fluoro-3-methylphenyl)-6,11-dihydrochromeno[4,3-b]indole-3-carboxamide
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Structure
Formula
C23H16F2N2O2
Molecular Weight
390.389
Canonical SMILES
Cc1cc(ccc1F)-c1ccc2c3COc4cc(ccc4-c3[nH]c2c1F)C(N)=O
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InChI
InChI=1S/C23H16F2N2O2/c1-11-8-12(3-7-18(11)24)14-5-6-15-17-10-29-19-9-13(23(26)28)2-4-16(19)21(17)27-22(15)20(14)25/h2-9,27H,10H2,1H3,(H2,26,28)
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InChIKey
AFGFCWCJBHUVDU-UHFFFAOYSA-N
Physicochemical Property
logP
5.07982
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
68.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 16047074
SID: 24433244
ChEMBL ID
CHEMBL497582
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: PT06051, Thrombopoietin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
EC50 = 1430 nM
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