General Information of the Compound
| Compound ID |
CP0472193
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| Compound Name |
US9428456, 1.049
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| Structure |
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| Formula |
C23H30N4O3
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| Molecular Weight |
410.518
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccno3)c2)CC1
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| InChI |
InChI=1S/C23H30N4O3/c28-22(25-19-6-2-1-3-7-19)18-10-13-27(14-11-18)16-17-5-4-8-20(15-17)26-23(29)21-9-12-24-30-21/h4-5,8-9,12,15,18-19H,1-3,6-7,10-11,13-14,16H2,(H,25,28)(H,26,29)
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| InChIKey |
FJLKPARHYZWESS-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