General Information of the Compound
| Compound ID |
CP0515161
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| Compound Name |
US9428456, 1.252
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| Structure |
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| Formula |
C25H30Cl2FN3O2
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| Molecular Weight |
494.438
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3cc(F)c(Cl)cc3Cl)c2)CC1
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| InChI |
InChI=1S/C25H30Cl2FN3O2/c1-25(2,3)30-24(33)17-7-9-31(10-8-17)15-16-5-4-6-19(11-16)29-23(32)13-18-12-22(28)21(27)14-20(18)26/h4-6,11-12,14,17H,7-10,13,15H2,1-3H3,(H,29,32)(H,30,33)
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| InChIKey |
SJJVGUCLCIXLMY-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