General Information of the Compound
| Compound ID |
CP0448987
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| Compound Name |
CHEMBL16804
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O4/c1-3-17-26-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)18-27-23(28)21-11-7-8-12-22(21)30-2/h4-12,20H,3,13-18H2,1-2H3,(H,26,29)(H,27,28)/t20-,25+
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| InChIKey |
IYMWLYWBYFPVAA-IHRKKFBRSA-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