General Information of the Compound
Compound ID
CP0761979
Compound Name
(R)-4-(6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-methylmorpholine
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Structure
Formula
C19H19FN6O
Molecular Weight
366.4
Canonical SMILES
C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)cc2c1ncn2C
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InChI
InChI=1S/C19H19FN6O/c1-11-9-27-6-5-26(11)19-17-15(25(2)10-23-17)7-13(24-19)16-12-3-4-21-14(12)8-22-18(16)20/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3/t11-/m1/s1
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InChIKey
LYTYLKIUCFTVLF-LLVKDONJSA-N
Physicochemical Property
logP
2.8758
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
71.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 118720887
ChEMBL ID
CHEMBL3355476
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: PT00865, Serine/threonine-protein kinase Chk1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  1
1
IC50 = 96 nM
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