General Information of the Compound
Compound ID
CP0143166
Compound Name
4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
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Structure
Formula
C11H8ClN5
Molecular Weight
245.673
Canonical SMILES
Nc1nccc(n1)-n1ccc2cnc(Cl)cc12
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InChI
InChI=1S/C11H8ClN5/c12-9-5-8-7(6-15-9)2-4-17(8)10-1-3-14-11(13)16-10/h1-6H,(H2,13,14,16)
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InChIKey
CDSZKWUUDLFLDE-UHFFFAOYSA-N
Physicochemical Property
logP
2.0511
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 71580828
SID: 163626446
ChEMBL ID
CHEMBL2346665
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: PT00985, Cell division cycle 7-related protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 360 nM