General Information of the Compound
| Compound ID |
CP0577347
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| Compound Name |
US9428456, 1.021
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| Structure |
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| Formula |
C29H34N4O2
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| Molecular Weight |
470.617
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3nccc4ccccc34)c2)CC1
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| InChI |
InChI=1S/C29H34N4O2/c34-28(31-24-9-2-1-3-10-24)23-14-17-33(18-15-23)20-21-7-6-11-25(19-21)32-29(35)27-26-12-5-4-8-22(26)13-16-30-27/h4-8,11-13,16,19,23-24H,1-3,9-10,14-15,17-18,20H2,(H,31,34)(H,32,35)
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| InChIKey |
CVJYDGBXGCEMDX-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