General Information of the Compound
| Compound ID |
CP0462320
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| Compound Name |
2-(4-(piperidin-1-yl)butyl)-2H-isoindole-1-carbonitrile
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| Structure |
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| Formula |
C18H23N3
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| Molecular Weight |
281.403
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| Canonical SMILES |
N#Cc1n(CCCCN2CCCCC2)cc2ccccc12
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| InChI |
InChI=1S/C18H23N3/c19-14-18-17-9-3-2-8-16(17)15-21(18)13-7-6-12-20-10-4-1-5-11-20/h2-3,8-9,15H,1,4-7,10-13H2
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| InChIKey |
XJMGLBSQGSTWIZ-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