General Information of the Compound
| Compound ID |
CP0559167
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| Compound Name |
US9428456, 1.236
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| Structure |
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| Formula |
C27H31ClN4O2
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| Molecular Weight |
479.024
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cnc4cc(Cl)ccc4c3)c2)CC1
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| InChI |
InChI=1S/C27H31ClN4O2/c1-27(2,3)31-26(34)19-9-11-32(12-10-19)17-18-5-4-6-23(13-18)30-25(33)21-14-20-7-8-22(28)15-24(20)29-16-21/h4-8,13-16,19H,9-12,17H2,1-3H3,(H,30,33)(H,31,34)
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| InChIKey |
MBWSODZLFVYLPR-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