General Information of the Compound
| Compound ID |
CP0495296
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| Compound Name |
US9428456, 4.025
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| Structure |
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| Formula |
C24H31ClN4O3
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| Molecular Weight |
458.99
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| Canonical SMILES |
CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c[n+]3[O-])c2)CC1
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| InChI |
InChI=1S/C24H31ClN4O3/c1-4-24(2,3)27-22(30)18-10-12-28(13-11-18)15-17-6-5-7-20(14-17)26-23(31)21-9-8-19(25)16-29(21)32/h5-9,14,16,18H,4,10-13,15H2,1-3H3,(H,26,31)(H,27,30)
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| InChIKey |
VFVAZWIGTDJXPJ-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