General Information of the Compound
| Compound ID |
CP0566349
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| Compound Name |
US9428456, 1.251
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| Structure |
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| Formula |
C26H30Cl2F3N3O2
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| Molecular Weight |
544.445
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3c(Cl)c(Cl)ccc3C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C26H30Cl2F3N3O2/c1-25(2,3)33-24(36)17-9-11-34(12-10-17)15-16-5-4-6-18(13-16)32-22(35)14-19-20(26(29,30)31)7-8-21(27)23(19)28/h4-8,13,17H,9-12,14-15H2,1-3H3,(H,32,35)(H,33,36)
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| InChIKey |
ZIPCMIYUHKOEDJ-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