General Information of the Compound
| Compound ID |
CP0488124
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| Compound Name |
4-[4-(5-aminopentyl)piperidin-1-yl]-1-(2-methylphenyl)butan-1-one
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| Structure |
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| Formula |
C21H34N2O
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| Molecular Weight |
330.516
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| Canonical SMILES |
Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1
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| InChI |
InChI=1S/C21H34N2O/c1-18-8-4-5-10-20(18)21(24)11-7-15-23-16-12-19(13-17-23)9-3-2-6-14-22/h4-5,8,10,19H,2-3,6-7,9,11-17,22H2,1H3
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| InChIKey |
DXPBRIOEFRSDGR-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