General Information of the Compound
| Compound ID |
CP0550500
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| Compound Name |
US8969325, 127
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| Structure |
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| Formula |
C21H19F4N3O4
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| Molecular Weight |
453.392
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| Canonical SMILES |
C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C21H19F4N3O4/c1-20(10-22)8-15(13-4-2-11(21(23,24)25)6-17(13)32-20)28-19(30)26-12-3-5-16-14(7-12)27-18(29)9-31-16/h2-7,15H,8-10H2,1H3,(H,27,29)(H2,26,28,30)/t15-,20+/m1/s1
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| InChIKey |
IIBZCTVWRDSGMY-QRWLVFNGSA-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