General Information of the Compound
| Compound ID |
CP0241386
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| Compound Name |
1'-(2-Hydroxy-6-methylbenzoyl)-4-[(Z)-(4-bromophenyl)-(methoxyimino)methyl]-4'-methyl-1,4'-bipiperidine
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| Structure |
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| Formula |
C27H34BrN3O3
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| Molecular Weight |
528.491
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| Canonical SMILES |
CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+
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| InChIKey |
JLFLNZCJUVHUGI-XLVZBRSZSA-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