General Information of the Compound
| Compound ID |
CP0536631
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| Compound Name |
CHEMBL2046870
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| Formula |
C24H30N2O
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| Molecular Weight |
362.517
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| Canonical SMILES |
COc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C24H30N2O/c1-18-15-22-23(16-18)24(22,19-7-6-10-21(17-19)27-2)26-13-11-25(12-14-26)20-8-4-3-5-9-20/h3-10,17-18,22-23H,11-16H2,1-2H3/t18-,22-,23+,24+
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| InChIKey |
RTDVMDFFNLRZQE-BROAAPDQSA-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