General Information of the Compound
Compound ID
CP0160471
Compound Name
N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2-(6-hydroxynaphthalen-2-yl)oxybenzamide
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Structure
Formula
C24H16N2O5S
Molecular Weight
444.468
Canonical SMILES
Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1
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InChI
InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30)
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InChIKey
FRSGRURBNYCMBJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.6109
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
111.91
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 155514596
ChEMBL ID
CHEMBL4440832