General Information of the Compound
Compound ID
CP0262150
Compound Name
N-(6-aminopyridin-3-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide
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Structure
Formula
C15H16F2N4O3S
Molecular Weight
370.381
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
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InChI
InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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InChIKey
CDDYERXWVMMNOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.346
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
114.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44199429
SID: 85195679
ChEMBL ID
CHEMBL1945019
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000212 Malme-3M Homo sapiens (Human)  1
1
IC50 = 2400 nM
   TI
   LI
   LO
   TS
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 > 3000 nM
   TI
   LI
   LO
   TS