General Information of the Compound
| Compound ID |
CP0406992
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2-(4-o-tolyl-piperazin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C25H28BrN3O2
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| Molecular Weight |
482.422
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C
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| InChI |
InChI=1S/C25H28BrN3O2/c1-18-7-3-6-10-23(18)29-15-13-28(14-16-29)12-11-27-25(30)21-17-22(26)19-8-4-5-9-20(19)24(21)31-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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| InChIKey |
ZIVBQUNYSGOUKO-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