General Information of the Compound
| Compound ID |
CP0465705
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| Compound Name |
[4-[4-[(Z)-C-(4-bromophenyl)-N-phenylmethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
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| Structure |
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| Formula |
C34H40BrN3O2
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| Molecular Weight |
602.617
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OCc1ccccc1)\c1ccc(Br)cc1
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| InChI |
InChI=1S/C34H40BrN3O2/c1-25-8-7-9-26(2)31(25)33(39)37-22-18-34(3,19-23-37)38-20-16-29(17-21-38)32(28-12-14-30(35)15-13-28)36-40-24-27-10-5-4-6-11-27/h4-15,29H,16-24H2,1-3H3/b36-32+
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| InChIKey |
HUNRBJJETGRXCS-WIKZRCHHSA-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