General Information of the Compound
| Compound ID |
CP0430382
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| Compound Name |
4-bromo-1-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C25H25BrF3N3O2
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| Molecular Weight |
536.392
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H25BrF3N3O2/c1-34-23-20-8-3-2-7-19(20)22(26)16-21(23)24(33)30-9-10-31-11-13-32(14-12-31)18-6-4-5-17(15-18)25(27,28)29/h2-8,15-16H,9-14H2,1H3,(H,30,33)
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| InChIKey |
PJBTVIXTPXKPPS-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