General Information of the Compound
Compound ID
CP0081482
Compound Name
1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
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Structure
Formula
C19H19F3N4O2
Molecular Weight
392.381
Canonical SMILES
Cc1c(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cccc1C(F)(F)F
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InChI
InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(27)11-16(23-18(25)26)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3
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InChIKey
SHFNZWGTTMHHKB-UHFFFAOYSA-N
Physicochemical Property
logP
2.70812
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
51.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 57391365
ChEMBL ID
CHEMBL1957855