General Information of the Compound
| Compound ID |
CP0577424
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| Compound Name |
CHEMBL4761058
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| Formula |
C24H30N2O3
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| Molecular Weight |
394.515
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| Canonical SMILES |
COc1cc(ccc1O)C(=O)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C24H30N2O3/c1-29-23-17-20(9-12-22(23)27)24(28)26-15-13-25(14-16-26)21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-6,9,12,17,19,21,27H,7-8,10-11,13-16H2,1H3/t19-,21+
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| InChIKey |
LAFLGRCAMBXKGY-TYKWCNGQSA-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