General Information of the Compound
| Compound ID |
CP0453000
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| Compound Name |
CHEMBL378027
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| Formula |
C26H28F6N2O2
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| Molecular Weight |
514.51
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| Canonical SMILES |
C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H28F6N2O2/c1-17(18-11-20(25(27,28)29)13-21(12-18)26(30,31)32)36-16-23(19-7-3-2-4-8-19)14-24(33,15-23)22(35)34-9-5-6-10-34/h2-4,7-8,11-13,17H,5-6,9-10,14-16,33H2,1H3/t17-,23-,24+/m1/s1
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| InChIKey |
HPUOJOVHXLUXCC-VEYWIMSWSA-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