General Information of the Compound
Compound ID
CP0495438
Compound Name
5-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-dimethyl-cyclopropyl]-4-methyl-1H-imidazol-2-ylamine
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Structure
Formula
C15H18ClN3
Molecular Weight
275.783
Canonical SMILES
Cc1nc(N)[nH]c1[C@@H]1[C@@H](c2cccc(Cl)c2)C1(C)C
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InChI
InChI=1S/C15H18ClN3/c1-8-13(19-14(17)18-8)12-11(15(12,2)3)9-5-4-6-10(16)7-9/h4-7,11-12H,1-3H3,(H3,17,18,19)/t11-,12+/m1/s1
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InChIKey
SKRQZPUWZVJADT-NEPJUHHUSA-N
Physicochemical Property
logP
3.86092
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 9817020
SID: 14775126
ChEMBL ID
CHEMBL52381
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: PT03805, Sodium/hydrogen exchanger 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000429 AP-1 Homo sapiens (Human)  1
1
IC50 = 39 nM
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