General Information of the Compound
| Compound ID |
CP0516316
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| Compound Name |
US9428456, 2.106
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| Structure |
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| Formula |
C27H33F3N4O2
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| Molecular Weight |
502.581
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| Canonical SMILES |
C[C@@H]1C[C@@H](CCN1Cc1cccc(NC(=O)c2cccc(n2)C(F)(F)F)c1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C27H33F3N4O2/c1-18-15-20(25(35)31-21-8-3-2-4-9-21)13-14-34(18)17-19-7-5-10-22(16-19)32-26(36)23-11-6-12-24(33-23)27(28,29)30/h5-7,10-12,16,18,20-21H,2-4,8-9,13-15,17H2,1H3,(H,31,35)(H,32,36)/t18-,20-/m1/s1
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| InChIKey |
QTVBVEWPHVTULP-UYAOXDASSA-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