General Information of the Compound
Compound ID
CP0544857
Compound Name
6-oxo-5-(2-trimethylsilylethoxymethyl)phenanthridine-2-carboxamide
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Structure
Formula
C20H24N2O3Si
Molecular Weight
368.509
Canonical SMILES
C[Si](C)(C)CCOCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O
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InChI
InChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-13-22-18-9-8-14(19(21)23)12-17(18)15-6-4-5-7-16(15)20(22)24/h4-9,12H,10-11,13H2,1-3H3,(H2,21,23)
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InChIKey
GNYOWZHXOMSPBC-UHFFFAOYSA-N
Physicochemical Property
logP
3.5659
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
74.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 137660829
ChEMBL ID
CHEMBL4097145
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: PT03759, NPC intracellular cholesterol transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 16000 nM
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