General Information of the Compound
| Compound ID |
CP0536272
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| Compound Name |
US8969325, 266
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| Structure |
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| Formula |
C26H32FN3O3
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| Molecular Weight |
453.558
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)N(C)c3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C26H32FN3O3/c1-4-12-26(13-5-2)16-21(20-14-18(27)8-10-23(20)33-26)29-25(32)28-19-9-6-17-7-11-24(31)30(3)22(17)15-19/h6,8-10,14-15,21H,4-5,7,11-13,16H2,1-3H3,(H2,28,29,32)/t21-/m1/s1
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| InChIKey |
SVLDMRGZSRUVQE-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