General Information of the Compound
Compound ID
CP0033005
Compound Name
2-(2-fluorophenyl)-N-hydroxy-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
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Structure
Formula
C19H13F4N3O2
Molecular Weight
391.324
Canonical SMILES
ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F
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InChI
InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
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InChIKey
LMGDHGQJJLEAPQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9388
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 81689842
ChEMBL ID
CHEMBL4456445