General Information of the Compound
| Compound ID |
CP0577348
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| Compound Name |
US9428456, 1.028
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3coc4ccccc34)c2)CC1
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| InChI |
InChI=1S/C28H33N3O3/c32-27(29-22-8-2-1-3-9-22)21-13-15-31(16-14-21)18-20-7-6-10-23(17-20)30-28(33)25-19-34-26-12-5-4-11-24(25)26/h4-7,10-12,17,19,21-22H,1-3,8-9,13-16,18H2,(H,29,32)(H,30,33)
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| InChIKey |
GUDRCTXILCXKRP-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