General Information of the Compound
Compound ID
CP0482343
Compound Name
2-(3,4-dichlorophenyl)-N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
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Structure
Formula
C23H21Cl2N3O
Molecular Weight
426.347
Canonical SMILES
Clc1ccc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)cc1Cl
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InChI
InChI=1S/C23H21Cl2N3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)/t20-/m1/s1
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InChIKey
HLGZWOPKLXYBFI-HXUWFJFHSA-N
Physicochemical Property
logP
5.1493
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 138470418
ChEMBL ID
CHEMBL4279907
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: PT03324, WD repeat-containing protein 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 9270 nM
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