General Information of the Compound
| Compound ID |
CP0497765
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| Compound Name |
4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C23H25BrN4O2
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| Molecular Weight |
469.383
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C23H25BrN4O2/c1-30-22-18-7-3-2-6-17(18)20(24)16-19(22)23(29)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-25-21/h2-9,16H,10-15H2,1H3,(H,26,29)
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| InChIKey |
KDPMUYMEKOJROI-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