General Information of the Compound
Compound ID
CP0309698
Compound Name
3,6-Bis[(3-morpholinopropionamido)] acridine
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Structure
Formula
C27H33N5O4
Molecular Weight
491.592
Canonical SMILES
O=C(CCN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCOCC4)cc3nc2c1
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InChI
InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
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InChIKey
PKCWQSROJQAQMV-UHFFFAOYSA-N
Physicochemical Property
logP
2.7096
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
96.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 24963052
ChEMBL ID
CHEMBL421143
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: PT01466, Telomerase reverse transcriptase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
IC50 > 50000 nM
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