General Information of the Compound
| Compound ID |
CP0556525
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| Compound Name |
US8969325, 236
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| Structure |
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| Formula |
C20H18F3N3O4
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| Molecular Weight |
421.375
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| Canonical SMILES |
FC(F)(F)Oc1ccc2[C@@H](CCOc2c1)NC(=O)Nc1ccc2CCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H18F3N3O4/c21-20(22,23)30-13-4-5-14-15(7-8-29-17(14)10-13)26-19(28)24-12-3-1-11-2-6-18(27)25-16(11)9-12/h1,3-5,9-10,15H,2,6-8H2,(H,25,27)(H2,24,26,28)/t15-/m1/s1
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| InChIKey |
FXXBNNDOZOVWCQ-OAHLLOKOSA-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