General Information of the Compound
| Compound ID |
CP0531307
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| Compound Name |
US9428456, 2.088
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| Structure |
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| Formula |
C26H33F3N4O2
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| Molecular Weight |
490.57
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| Canonical SMILES |
CCC(C)(C)NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C26H33F3N4O2/c1-4-25(2,3)32-23(34)19-9-7-14-33(15-13-19)17-18-8-5-10-20(16-18)30-24(35)21-11-6-12-22(31-21)26(27,28)29/h5-6,8,10-12,16,19H,4,7,9,13-15,17H2,1-3H3,(H,30,35)(H,32,34)
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| InChIKey |
BCGFPZAQHSIDQW-UHFFFAOYSA-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