General Information of the Compound
| Compound ID |
CP0562852
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| Compound Name |
4-chloro-N-[3-(1,3-dihydroisoindol-2-yl)propyl]benzamide
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)NCCCN1Cc2ccccc2C1
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| InChI |
InChI=1S/C18H19ClN2O/c19-17-8-6-14(7-9-17)18(22)20-10-3-11-21-12-15-4-1-2-5-16(15)13-21/h1-2,4-9H,3,10-13H2,(H,20,22)
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| InChIKey |
KVQVOBYCDUZJSF-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1