General Information of the Compound
| Compound ID |
CP0405170
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| Compound Name |
Tetrahydropyranyl-methyl analogue, 54
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| Structure |
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| Formula |
C24H31NO4
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| Molecular Weight |
397.515
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| Canonical SMILES |
COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
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| InChI |
InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-12-16(22(27)28-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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| InChIKey |
JAIPFCNJVNJMDU-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