General Information of the Compound
| Compound ID |
CP0561067
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| Compound Name |
US8637501, 86
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
Cn1c2CCN(CCc2c2ccc(nc12)-n1ccc(OCc2ccccc2)cc1=O)C1CCC1
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| InChI |
InChI=1S/C28H30N4O2/c1-30-25-14-16-31(21-8-5-9-21)15-13-23(25)24-10-11-26(29-28(24)30)32-17-12-22(18-27(32)33)34-19-20-6-3-2-4-7-20/h2-4,6-7,10-12,17-18,21H,5,8-9,13-16,19H2,1H3
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| InChIKey |
RURJOJQSSJUQMY-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