General Information of the Compound
Compound ID
CP0562316
Compound Name
(3S,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
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Structure
Formula
C20H23NO
Molecular Weight
293.41
Canonical SMILES
C1OC2(C[C@H]1c1ccccc1)CCCN[C@H]2c1ccccc1
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InChI
InChI=1S/C20H23NO/c1-3-8-16(9-4-1)18-14-20(22-15-18)12-7-13-21-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19+,20?/m1/s1
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InChIKey
WJRYRJACQITXQC-LFPSWIHMSA-N
Physicochemical Property
logP
4.054
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71456210
ChEMBL ID
CHEMBL2112367
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 133 nM
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