General Information of the Compound
| Compound ID |
CP0517829
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| Compound Name |
CHEMBL2204045
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| Formula |
C24H26N2O3
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| Molecular Weight |
390.483
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| Canonical SMILES |
COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
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| InChIKey |
NDLLRHKTGJQNKH-HDICACEKSA-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