General Information of the Compound
| Compound ID |
CP0565968
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| Compound Name |
CHEMBL2338249
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O
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| InChI |
InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)21-15-27-29(23(21)25)19-4-6-20(32-3)7-5-19/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+
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| InChIKey |
XIBIIXAMIWORAE-WAXDZURTSA-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