General Information of the Compound
| Compound ID |
CP0894627
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| Compound Name |
{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-methyl-1-oxy-pyridin-3-yl)-methanone
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| Structure |
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| Formula |
C27H35BrN4O3
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| Molecular Weight |
543.506
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| Canonical SMILES |
CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3ccc[n+]([O-])c3C)CC2)CC1
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| InChI |
InChI=1S/C27H35BrN4O3/c1-4-35-29-25(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)24-6-5-15-32(34)20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b29-25+
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| InChIKey |
UZWDISBQLUFQNF-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