General Information of the Compound
| Compound ID |
CP0562261
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| Compound Name |
4-bromo-N-[2-[4-(2-cyanophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
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| Structure |
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| Formula |
C25H25BrN4O2
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| Molecular Weight |
493.405
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C25H25BrN4O2/c1-32-24-20-8-4-3-7-19(20)22(26)16-21(24)25(31)28-10-11-29-12-14-30(15-13-29)23-9-5-2-6-18(23)17-27/h2-9,16H,10-15H2,1H3,(H,28,31)
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| InChIKey |
BRPYNELBFAAPRA-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