General Information of the Compound
| Compound ID |
CP0505325
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| Compound Name |
CHEMBL2338258
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| Formula |
C21H31N3O2
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| Molecular Weight |
357.498
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| Canonical SMILES |
CC(C)(C)n1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O
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| InChI |
InChI=1S/C21H31N3O2/c1-20(2,3)24-17-5-4-6-23(19(25)16(17)12-22-24)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h12-15,18,26H,4-11H2,1-3H3/t13?,14?,15?,18-,21+
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| InChIKey |
WBAXTNRSLNUYJC-OGTSVFQDSA-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