General Information of the Compound
| Compound ID |
CP0453008
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| Compound Name |
CHEMBL212112
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| Formula |
C25H25F6NO2
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| Molecular Weight |
485.468
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| Canonical SMILES |
C[C@@H](OC[C@@]1(C[C@@H](C1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H25F6NO2/c1-16(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)34-15-23(18-6-3-2-4-7-18)13-21(14-23)32-9-5-8-22(32)33/h2-4,6-7,10-12,16,21H,5,8-9,13-15H2,1H3/t16-,21-,23-/m1/s1
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| InChIKey |
JHDXXNTYBOADFV-FQQGMQMYSA-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