General Information of the Compound
| Compound ID |
CP0557307
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| Compound Name |
US8969325, 185
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| Structure |
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| Formula |
C25H31FN4O3
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| Molecular Weight |
454.546
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3CN(C)C(=O)Nc3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C25H31FN4O3/c1-4-10-25(11-5-2)14-21(19-12-17(26)7-9-22(19)33-25)28-23(31)27-18-8-6-16-15-30(3)24(32)29-20(16)13-18/h6-9,12-13,21H,4-5,10-11,14-15H2,1-3H3,(H,29,32)(H2,27,28,31)/t21-/m1/s1
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| InChIKey |
JEXYIRSTHSEYBI-OAQYLSRUSA-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