General Information of the Compound
| Compound ID |
CP0532596
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| Compound Name |
US8741923, 15
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| Structure |
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CCNCc2c1
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| InChI |
InChI=1S/C26H25N3O2/c1-17-5-3-4-6-23(17)24-10-9-20(14-22(24)16-30-2)26-28-25(29-31-26)19-8-7-18-11-12-27-15-21(18)13-19/h3-10,13-14,27H,11-12,15-16H2,1-2H3
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| InChIKey |
PHHFMCDOFPPCSB-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