General Information of the Compound
Compound ID
CP0680307
Compound Name
SID50106533
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Structure
Formula
C23H21NO
Molecular Weight
327.427
Canonical SMILES
CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21
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InChI
InChI=1S/C23H21NO/c1-3-14-24-16(2)22(20-10-6-7-11-21(20)24)23(25)19-13-12-17-8-4-5-9-18(17)15-19/h4-13,15H,3,14H2,1-2H3
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InChIKey
ZNIBIJIBEXSCNO-UHFFFAOYSA-N
Physicochemical Property
logP
5.74392
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 6603892
SID: 134967605
ChEMBL ID
CHEMBL1338358
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
   TI
   LI
   LO
   TS