General Information of the Compound
Compound ID
CP0189652
Compound Name
1,3-bis(2,6-dichloropyridin-4-yl)urea
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Structure
Formula
C11H6Cl4N4O
Molecular Weight
352.008
Canonical SMILES
Clc1cc(NC(=O)Nc2cc(Cl)nc(Cl)c2)cc(Cl)n1
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InChI
InChI=1S/C11H6Cl4N4O/c12-7-1-5(2-8(13)18-7)16-11(20)17-6-3-9(14)19-10(15)4-6/h1-4H,(H2,16,17,18,19,20)
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InChIKey
CXZBNIOTQJQAPQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7342
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
66.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 2781943
ChEMBL ID
CHEMBL4871603