General Information of the Compound
| Compound ID |
CP0555356
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| Compound Name |
US8969325, 300
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| Structure |
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| Formula |
C25H27ClF2N4O4
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| Molecular Weight |
520.964
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| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2ccc3CC(N4CCOCC4)C(=O)Nc3c2)c2ccc(Cl)cc2O1
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| InChI |
InChI=1S/C25H27ClF2N4O4/c26-16-2-4-18-20(12-25(13-27,14-28)36-22(18)10-16)31-24(34)29-17-3-1-15-9-21(23(33)30-19(15)11-17)32-5-7-35-8-6-32/h1-4,10-11,20-21H,5-9,12-14H2,(H,30,33)(H2,29,31,34)/t20-,21?/m1/s1
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| InChIKey |
LNFLWRXCRISPFB-VQCQRNETSA-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