General Information of the Compound
| Compound ID |
CP0102098
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| Compound Name |
6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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| Structure |
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| Formula |
C27H37N3O
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| Molecular Weight |
419.613
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| Canonical SMILES |
Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H37N3O/c1-22-10-4-7-15-26(22)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-25-14-9-12-23-11-5-6-13-24(23)25/h4-7,10-11,13,15,25H,2-3,8-9,12,14,16-21H2,1H3,(H,28,31)
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| InChIKey |
JINXBCRENWAIPY-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