General Information of the Compound
| Compound ID |
CP0553895
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| Compound Name |
US9133168, Example 6d
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| Structure |
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| Formula |
C25H26N4O4
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| Molecular Weight |
446.507
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| Canonical SMILES |
COc1ccccc1-c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C25H26N4O4/c1-32-21-8-3-2-5-19(21)17-6-4-7-20-18(17)9-10-29(20)25(31)15-22-26-23(16-24(30)27-22)28-11-13-33-14-12-28/h2-8,16H,9-15H2,1H3,(H,26,27,30)
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| InChIKey |
QSOROLZTNJSTBL-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