General Information of the Compound
| Compound ID |
CP0442610
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| Compound Name |
[4-[4-(N-benzyl-4-bromoanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
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| Structure |
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| Formula |
C33H40BrN3O
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| Molecular Weight |
574.607
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3
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| InChIKey |
LFWRQDJRCRSTSQ-UHFFFAOYSA-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