General Information of the Compound
Compound ID
CP0787106
Compound Name
SID17507995
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Structure
Formula
C15H10Cl2N4
Molecular Weight
317.179
Canonical SMILES
Clc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1
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InChI
InChI=1S/C15H10Cl2N4/c16-13-18-14(17)20-15(19-13)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
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InChIKey
UIKAQTBBQJSDQE-UHFFFAOYSA-N
CAS
16033-74-2
Physicochemical Property
logP
4.6482
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
41.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 27647
SID: 16207237
ChEMBL ID
CHEMBL1428205
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 ~ 20596.2 nM
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