General Information of the Compound
| Compound ID |
CP0096732
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| Compound Name |
1-[3-(5-Methoxy-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
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| Structure |
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| Formula |
C23H27N3O
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| Molecular Weight |
361.489
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| Canonical SMILES |
COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
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| InChI |
InChI=1S/C23H27N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-5,7,9-13H,6,8,14-18H2,1H3
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| InChIKey |
XTICRBGKPDRHCR-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