General Information of the Compound
Compound ID
CP0372729
Compound Name
benzyl N-[2-[3-[(3-chlorophenyl)-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]anilino]-2-oxoethyl]-N-methylcarbamate
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Structure
Formula
C28H31ClN4O6S
Molecular Weight
587.098
Canonical SMILES
CC(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
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InChI
InChI=1S/C28H31ClN4O6S/c1-20(2)30-27(35)18-33(24-13-7-11-22(29)15-24)40(37,38)25-14-8-12-23(16-25)31-26(34)17-32(3)28(36)39-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,35)(H,31,34)
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InChIKey
DYFRVDHUQASANK-UHFFFAOYSA-N
Physicochemical Property
logP
4.267
Rotatable Bonds
11
Heavy Atom Count
40
Polar Areas
125.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
40

"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: 11497976
SID: 16599838
ChEMBL ID
CHEMBL404329
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: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS