General Information of the Compound
Compound ID
CP0388278
Compound Name
1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
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Structure
Formula
C19H24N4O2S
Molecular Weight
372.494
Canonical SMILES
CN(Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)Nc1nc(C)cs1
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InChI
InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)
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InChIKey
ZEVOZXRSCSSPAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.35402
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
65.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 132355378
ChEMBL ID
CHEMBL4649609
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: PT06416, Carbamoyl-phosphate synthase [ammonia], mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1500 nM
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