General Information of the Compound
| Compound ID |
CP0418546
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| Compound Name |
MLS001122453
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
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| InChI |
InChI=1S/C25H32N2O3/c1-17(2)27-14-12-20(13-15-27)30-24-16-19(9-11-23(24)29-3)25(28)26-22-10-8-18-6-4-5-7-21(18)22/h4-7,9,11,16-17,20,22H,8,10,12-15H2,1-3H3,(H,26,28)
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| InChIKey |
HOSJPJROAGJOCT-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