General Information of the Compound
| Compound ID |
CP0504129
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| Compound Name |
US8933079, 1.16
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| Structure |
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| Formula |
C28H32N2O4
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| Molecular Weight |
460.574
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| Canonical SMILES |
Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C28H32N2O4/c1-21-15-23(17-29-13-6-5-9-24(29)19-31)10-11-26(21)27(32)18-30-14-12-25(16-28(30)33)34-20-22-7-3-2-4-8-22/h2-4,7-8,10-12,14-16,24,31H,5-6,9,13,17-20H2,1H3/t24-/m1/s1
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| InChIKey |
KOVASXPJQGCLDN-XMMPIXPASA-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