General Information of the Compound
| Compound ID |
CP0539534
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| Compound Name |
US9428456, 1.308
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| Structure |
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| Formula |
C28H35F3N4O2
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| Molecular Weight |
516.608
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| Canonical SMILES |
CCC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cccc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C28H35F3N4O2/c1-2-24(35-16-14-19(15-17-35)26(36)32-21-9-4-3-5-10-21)20-8-6-11-22(18-20)33-27(37)23-12-7-13-25(34-23)28(29,30)31/h6-8,11-13,18-19,21,24H,2-5,9-10,14-17H2,1H3,(H,32,36)(H,33,37)
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| InChIKey |
IDOIAYWVIVNDBX-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