General Information of the Compound
| Compound ID |
CP0381559
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| Compound Name |
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-pyridin-2-yl-piperazine
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
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| InChI |
InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
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| InChIKey |
MQYILSGYILZXMS-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