General Information of the Compound
| Compound ID |
CP0517343
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| Compound Name |
CHEMBL2046869
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| Formula |
C24H30N2O
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| Molecular Weight |
362.517
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| Canonical SMILES |
COc1ccccc1[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C24H30N2O/c1-18-16-21-22(17-18)24(21,20-10-6-7-11-23(20)27-2)26-14-12-25(13-15-26)19-8-4-3-5-9-19/h3-11,18,21-22H,12-17H2,1-2H3/t18-,21-,22+,24+
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| InChIKey |
KETIGQXUUQTJJR-QVAYLADUSA-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