General Information of the Compound
Compound ID
CP0121354
Compound Name
5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one
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Synonyms
138154-55-9
5-((2-(diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one dihydrochloride hydrate
C-1311
CHEMBL3545337
Imidacrine
Imidazoacridone dihydrocheloride hydrate
NSC-645809
Symadex
XF-02
XJYNBZQTAZDMHZ-UHFFFAOYSA-N
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
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InChI
InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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InChIKey
CUNDRHORZHFPLY-UHFFFAOYSA-N
CAS
138154-39-9
Physicochemical Property
logP
2.898
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
69.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 132127
SID: 14778507
ChEMBL ID
CHEMBL338604
Clinical Information about the Compound
Drug 1 ( NSC-645809 )
Drug Name NSC-645809
Indication
Breast cancer
Phase 2
Target(s)
Quinone reductase 2 (NQO2)
Inhibitor