General Information of the Compound
| Compound ID |
CP0483899
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| Compound Name |
US9428456, 1.340
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| Structure |
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| Formula |
C23H28ClFN4O2
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| Molecular Weight |
446.954
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ncc(Cl)cc3F)c2)CC1
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| InChI |
InChI=1S/C23H28ClFN4O2/c1-23(2,3)28-21(30)16-7-9-29(10-8-16)14-15-5-4-6-18(11-15)27-22(31)20-19(25)12-17(24)13-26-20/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,27,31)(H,28,30)
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| InChIKey |
DLSOQFJZORWBJW-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