General Information of the Compound
Compound ID
CP0409855
Compound Name
1-[2-(3-chlorophenyl)ethyl]-3-[(3S)-pyrrolidin-3-yl]-1,3-diazinane-2,4,6-trione
    Show/Hide
Structure
Formula
C16H18ClN3O3
Molecular Weight
335.791
Canonical SMILES
Clc1cccc(CCN2C(=O)CC(=O)N([C@H]3CCNC3)C2=O)c1
    Show/Hide
InChI
InChI=1S/C16H18ClN3O3/c17-12-3-1-2-11(8-12)5-7-19-14(21)9-15(22)20(16(19)23)13-4-6-18-10-13/h1-3,8,13,18H,4-7,9-10H2/t13-/m0/s1
    Show/Hide
InChIKey
WCCAYVRPEVXFAI-ZDUSSCGKSA-N
Physicochemical Property
logP
1.4253
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 73350426
ChEMBL ID
CHEMBL2380886
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: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS