General Information of the Compound
| Compound ID |
CP0140363
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| Compound Name |
CHEMBL1642588
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| Formula |
C26H30F3NO3
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| Molecular Weight |
461.524
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CO)(CC1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3NO3/c1-24(33,26(27,28)29)19-9-7-18(8-10-19)23(32)30(21-11-12-21)22-13-15-25(17-31,16-14-22)20-5-3-2-4-6-20/h2-10,21-22,31,33H,11-17H2,1H3/t22-,24-,25-/m0/s1
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| InChIKey |
KWXRLWBFVXLLKP-HVCNVCAESA-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