General Information of the Compound
| Compound ID |
CP0111485
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| Compound Name |
CHEMBL2011642
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| Formula |
C21H37NO4
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| Molecular Weight |
367.53
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| Canonical SMILES |
O[C@H]1CN(CCCCCOCC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H37NO4/c23-18-12-22(13-19(24)20(18)25)4-2-1-3-5-26-14-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-20,23-25H,1-14H2/t15?,16?,17?,18-,19+,20+,21?
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| InChIKey |
VWKORMGUKPBDIL-UQCNXYBZSA-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