General Information of the Compound
| Compound ID |
CP0541858
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| Compound Name |
US8653125, Ic-8
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| Formula |
C21H20F2N2O3
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| Molecular Weight |
386.398
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| Canonical SMILES |
FC(F)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2ccccc2C#N)cc1
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| InChI |
InChI=1S/C21H20F2N2O3/c22-21(23)28-18-11-7-16(8-12-18)25-20(26)14-5-9-17(10-6-14)27-19-4-2-1-3-15(19)13-24/h1-4,7-8,11-12,14,17,21H,5-6,9-10H2,(H,25,26)/t14-,17+
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| InChIKey |
UBNGXMOXMNDNQF-KDYLLFBJSA-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