General Information of the Compound
Compound ID
CP0924401
Compound Name
(+)-(R)-N-((R)-1-(4-chlorophenyl)-3-(dimethylamino)propyl)-2-methoxy-2-phenylacetamide HCl
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Structure
Formula
C20H26Cl2N2O2
Molecular Weight
397.346
Canonical SMILES
CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1.Cl
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InChI
InChI=1S/C20H25ClN2O2.ClH/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16;/h4-12,18-19H,13-14H2,1-3H3,(H,22,24);1H/t18-,19-;/m1./s1
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InChIKey
NGGZHQJIHQNUBN-STYNFMPRSA-N
Physicochemical Property
logP
4.2585
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 45481611
ChEMBL ID
CHEMBL573837
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 5011.87 nM
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