General Information of the Compound
Compound ID
CP0082014
Compound Name
N-[5-(5,6-dichloroindol-1-yl)pentyl]-2-sulfanylacetamide
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Structure
Formula
C15H18Cl2N2OS
Molecular Weight
345.295
Canonical SMILES
SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc12
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InChI
InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)
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InChIKey
MHKHGVSRGWQPII-UHFFFAOYSA-N
Physicochemical Property
logP
4.1644
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
34.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 126738293
ChEMBL ID
CHEMBL4065147