General Information of the Compound
| Compound ID |
CP0551294
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| Compound Name |
US8969325, 311
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| Structure |
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| Formula |
C26H33FN4O4
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| Molecular Weight |
484.572
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2cccc(F)c2O1
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| InChI |
InChI=1S/C26H33FN4O4/c1-3-10-26(11-4-2)15-22(19-6-5-7-20(27)23(19)35-26)29-24(33)28-18-9-8-17-16-31(12-13-32)25(34)30-21(17)14-18/h5-9,14,22,32H,3-4,10-13,15-16H2,1-2H3,(H,30,34)(H2,28,29,33)/t22-/m1/s1
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| InChIKey |
CTANSZNGVLMGSX-JOCHJYFZSA-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