General Information of the Compound
| Compound ID |
CP0546828
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| Compound Name |
US8791272, 9.23
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)C(=O)Nc2ccc3ccccc3n2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C26H26N4O3/c1-3-21-20(15-25(31)32)23(4-2)30(29-21)16-17-9-11-19(12-10-17)26(33)28-24-14-13-18-7-5-6-8-22(18)27-24/h5-14H,3-4,15-16H2,1-2H3,(H,31,32)(H,27,28,33)
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| InChIKey |
BELBLCAZAKXRGG-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