General Information of the Compound
| Compound ID |
CP0184375
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| Compound Name |
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]isoxazol-5-yl]-benzamide
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| Structure |
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| Formula |
C20H19ClFN3O2
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| Molecular Weight |
387.842
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| Canonical SMILES |
CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3Cl)cc12
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| InChI |
InChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)19-16-11-14(3-5-18(16)27-24-19)23-20(26)15-4-2-13(22)10-17(15)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)
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| InChIKey |
KVIHIAIJXYTYLJ-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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