General Information of the Compound
| Compound ID |
CP0399880
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| Compound Name |
US8962837, 40
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| Structure |
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| Formula |
C17H17ClF3N3O2
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| Molecular Weight |
387.789
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| Canonical SMILES |
Cn1nccc(N2CCC(CC2)Oc2cc(ccc2Cl)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C17H17ClF3N3O2/c1-23-16(25)14(4-7-22-23)24-8-5-12(6-9-24)26-15-10-11(17(19,20)21)2-3-13(15)18/h2-4,7,10,12H,5-6,8-9H2,1H3
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| InChIKey |
QVTWHNBICUCVNZ-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound