General Information of the Compound
| Compound ID |
CP0409073
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| Compound Name |
CHEMBL2046864
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| Formula |
C25H34N2O
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| Molecular Weight |
378.56
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| Canonical SMILES |
CCOc1cccc(c1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H34N2O/c1-3-28-24-11-7-8-22(20-24)25(14-12-21(2)13-15-25)27-18-16-26(17-19-27)23-9-5-4-6-10-23/h4-11,20-21H,3,12-19H2,1-2H3/t21-,25+
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| InChIKey |
HKVWLCPNTJYNBO-IVHGUIJPSA-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