General Information of the Compound
| Compound ID |
CP0565721
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| Compound Name |
US8618299, 50
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(nc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H26N4O2/c1-28-23-14-19-8-5-12-29(19)16-22(23)21-9-10-24(27-26(21)28)30-13-11-20(15-25(30)31)32-17-18-6-3-2-4-7-18/h2-4,6-7,9-11,13,15,19H,5,8,12,14,16-17H2,1H3
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| InChIKey |
XSRCSDPPGHTDIE-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