General Information of the Compound
| Compound ID |
CP0386472
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| Compound Name |
CHEMBL518644
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| Formula |
C23H27F3N2O2
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| Molecular Weight |
420.475
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N2O2/c1-21(30,23(24,25)26)16-4-2-15(3-5-16)20(29)28(18-8-9-18)19-10-12-22(14-27,13-11-19)17-6-7-17/h2-5,17-19,30H,6-13H2,1H3/t19-,21-,22-/m0/s1
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| InChIKey |
GAFZWYWWVFDQDB-BVSLBCMMSA-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