General Information of the Compound
Compound ID
CP0303924
Compound Name
(1R,3S)-N-methyl-3-(2-methylpropanoylamino)-N-(4-phenylphenyl)cyclopentane-1-carboxamide
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Structure
Formula
C23H28N2O2
Molecular Weight
364.489
Canonical SMILES
CC(C)C(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C23H28N2O2/c1-16(2)22(26)24-20-12-9-19(15-20)23(27)25(3)21-13-10-18(11-14-21)17-7-5-4-6-8-17/h4-8,10-11,13-14,16,19-20H,9,12,15H2,1-3H3,(H,24,26)/t19-,20+/m1/s1
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InChIKey
LVMYACNRPQHLBX-UXHICEINSA-N
Physicochemical Property
logP
4.2573
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 56678879
ChEMBL ID
CHEMBL1834045
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: PT02825, Fatty acid synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 <= 500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 420 nM