General Information of the Compound
| Compound ID |
CP0500153
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| Compound Name |
CHEMBL5092906
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| Formula |
C20H21F3N2O3
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| Molecular Weight |
394.393
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@]12C[C@H]1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C20H21F3N2O3/c21-20(22,23)14-3-1-13(2-4-14)19-5-6-25(10-15(19)9-19)16(26)12-7-18(8-12)11-28-17(27)24-18/h1-4,12,15H,5-11H2,(H,24,27)/t12-,15-,18+,19-/m0/s1
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| InChIKey |
VIFXZBIAYNLBCK-SRRFXAJZSA-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