General Information of the Compound
Compound ID
CP0565841
Compound Name
5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cyclopropyl]-1H-imidazol-2-ylamine
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Structure
Formula
C14H15Cl2N3
Molecular Weight
296.201
Canonical SMILES
CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)c1cnc(N)[nH]1
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InChI
InChI=1S/C14H15Cl2N3/c1-14(2)11(7-3-8(15)5-9(16)4-7)12(14)10-6-18-13(17)19-10/h3-6,11-12H,1-2H3,(H3,17,18,19)/t11-,12-/m1/s1
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InChIKey
PEWMSKFIDDGBFL-VXGBXAGGSA-N
Physicochemical Property
logP
4.2059
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: 9796199
SID: 14751528
ChEMBL ID
CHEMBL49235
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 = 180 nM
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