General Information of the Compound
Compound ID
CP0371773
Compound Name
3-chloro-N-[(E)-[3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-hydroxybenzamide
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Structure
Formula
C24H20ClF3N2O5
Molecular Weight
508.88
Canonical SMILES
COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+
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InChIKey
ZRWTUNRDUBYBQU-XKJRVUDJSA-N
Physicochemical Property
logP
5.4245
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
89.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 25022655
SID: 56372307
ChEMBL ID
CHEMBL270677
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: PT03491, Pituitary adenylate cyclase-activating polypeptide type I receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Ki = 140 nM
   TI
   LI
   LO
   TS