General Information of the Compound
| Compound ID |
CP0076414
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| Compound Name |
CHEMBL1289502
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| Formula |
C22H19ClF3N3O3
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| Molecular Weight |
465.859
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| Canonical SMILES |
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2Cl)CC1
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| InChI |
InChI=1S/C22H19ClF3N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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| InChIKey |
VWWSRTSPFXNPON-KIFPSNHUSA-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