General Information of the Compound
| Compound ID |
CP0515681
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| Compound Name |
US9428456, 1.211
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
O=C(NC1CCCC1)C1CCN(Cc2cccc(NC(=O)c3cnc4ccccc4c3)c2)CC1
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| InChI |
InChI=1S/C28H32N4O2/c33-27(30-24-8-2-3-9-24)21-12-14-32(15-13-21)19-20-6-5-10-25(16-20)31-28(34)23-17-22-7-1-4-11-26(22)29-18-23/h1,4-7,10-11,16-18,21,24H,2-3,8-9,12-15,19H2,(H,30,33)(H,31,34)
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| InChIKey |
ONHXOYWTUXPDPT-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