General Information of the Compound
| Compound ID |
CP0372227
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| Compound Name |
(5-(3-methoxyphenyl)-6-p-tolylpyridin-3-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C34H31N3O2
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| Molecular Weight |
513.641
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| Canonical SMILES |
COc1cccc(c1)-c1cc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C34H31N3O2/c1-24-10-12-26(13-11-24)33-32(28-8-5-9-31(21-28)39-2)22-29(23-35-33)34(38)37-18-16-36(17-19-37)30-15-14-25-6-3-4-7-27(25)20-30/h3-15,20-23H,16-19H2,1-2H3
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| InChIKey |
KYRDUCOAFFKEFN-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