General Information of the Compound
| Compound ID |
CP0409246
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| Compound Name |
CHEMBL180817
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| Formula |
C23H27FN2O2
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| Molecular Weight |
382.479
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| Canonical SMILES |
COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C23H27FN2O2/c1-27-22-4-2-3-5-23(22)28-13-12-25-18-9-6-16(7-10-18)20-15-26-21-11-8-17(24)14-19(20)21/h2-5,8,11,14-16,18,25-26H,6-7,9-10,12-13H2,1H3/t16-,18+
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| InChIKey |
VBRHXFSHZGCBJG-MAEOIBBWSA-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