General Information of the Compound
| Compound ID |
CP0449571
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| Compound Name |
CHEMBL2338259
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2C2CCCCC2)C1=O
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| InChI |
InChI=1S/C23H33N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h14-18,21,28H,1-13H2/t15?,16?,17?,21-,23+
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| InChIKey |
PUMIFTMDJZBAFO-HAKKTOSCSA-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