General Information of the Compound
Compound ID
CP0403083
Compound Name
1-(2-fluoro-benzyl)-8-(3'-hydroxy-biphenyl-4-ylmethyl)-3-(3-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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Structure
Formula
C34H32FN3O4
Molecular Weight
565.645
Canonical SMILES
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(O)c3)CC2)C1=O
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InChI
InChI=1S/C34H32FN3O4/c1-42-30-10-5-8-28(21-30)38-32(40)34(37(33(38)41)23-27-6-2-3-11-31(27)35)16-18-36(19-17-34)22-24-12-14-25(15-13-24)26-7-4-9-29(39)20-26/h2-15,20-21,39H,16-19,22-23H2,1H3
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InChIKey
CKNAYIGNFCNTLX-UHFFFAOYSA-N
Physicochemical Property
logP
6.2105
Rotatable Bonds
7
Heavy Atom Count
42
Polar Areas
73.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
42

"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: 44425823
ChEMBL ID
CHEMBL389812
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2900 nM
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   LI
   LO
   TS