General Information of the Compound
| Compound ID |
CP0453647
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| Compound Name |
CHEMBL218197
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| Formula |
C23H30F4N4O2
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| Molecular Weight |
470.511
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| Canonical SMILES |
CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@@]3(O)CC1C[C@@](F)(C2)C3
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| InChI |
InChI=1S/C23H30F4N4O2/c1-14(20(32)29-19-15-8-21(24)9-16(19)11-22(33,10-15)13-21)30-4-6-31(7-5-30)18-3-2-17(12-28-18)23(25,26)27/h2-3,12,14-16,19,33H,4-11,13H2,1H3,(H,29,32)/t14?,15?,16?,19-,21-,22+
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| InChIKey |
UNJXSHLBIKAOCS-SVYDNSTASA-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