General Information of the Compound
Compound ID
CP0907487
Compound Name
SID57263885
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Structure
Formula
C26H25N3O3
Molecular Weight
427.504
Canonical SMILES
Cc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1C
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InChI
InChI=1S/C26H25N3O3/c1-18-13-14-22(15-19(18)2)26(21-11-7-4-8-12-21)24(31)29(25(32)28-26)17-23(30)27-16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)
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InChIKey
KZHLVVBHLQEIHM-UHFFFAOYSA-N
Physicochemical Property
logP
3.41524
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 16292498
ChEMBL ID
CHEMBL1733389
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: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
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