General Information of the Compound
Compound ID
CP0414182
Compound Name
5-butyl-N,N-bis(2-hydroxyethyl)-6-oxophenanthridine-2-carboxamide
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Structure
Formula
C22H26N2O4
Molecular Weight
382.46
Canonical SMILES
CCCCn1c2ccc(cc2c2ccccc2c1=O)C(=O)N(CCO)CCO
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InChI
InChI=1S/C22H26N2O4/c1-2-3-10-24-20-9-8-16(21(27)23(11-13-25)12-14-26)15-19(20)17-6-4-5-7-18(17)22(24)28/h4-9,15,25-26H,2-3,10-14H2,1H3
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InChIKey
QUCKLGRPNCAZPM-UHFFFAOYSA-N
Physicochemical Property
logP
2.3816
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
82.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 90682824
ChEMBL ID
CHEMBL3297912
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 > 30000 nM
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