General Information of the Compound
| Compound ID |
CP0461318
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| Compound Name |
4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1'-[(2-methyl-3-pyridinyl)carbonyl]-1,4'-bipiperidine
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| Structure |
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| Formula |
C27H35BrN4O2
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| Molecular Weight |
527.507
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| Canonical SMILES |
CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25+
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| InChIKey |
GXJXVSDXVMSAIP-QCWLDUFUSA-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