General Information of the Compound
| Compound ID |
CP0521280
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| Compound Name |
US8969325, 58
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| Structure |
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| Formula |
C23H24F4N4O4
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| Molecular Weight |
496.461
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| Canonical SMILES |
C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N4O4/c1-22(12-24)10-18(16-5-3-14(23(25,26)27)8-19(16)35-22)29-20(33)28-15-4-2-13-11-31(6-7-32)21(34)30-17(13)9-15/h2-5,8-9,18,32H,6-7,10-12H2,1H3,(H,30,34)(H2,28,29,33)/t18-,22+/m1/s1
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| InChIKey |
OKCXWSRNHDCPBN-GCJKJVERSA-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