General Information of the Compound
| Compound ID |
CP0066335
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| Compound Name |
4-[[3-(4-chlorophenyl)-2-isoxazolin-5-yl]methyl]-N-heptyl-isonipecotamide
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| Structure |
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| Formula |
C23H34ClN3O2
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| Molecular Weight |
419.997
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| Canonical SMILES |
CCCCCCCNC(=O)C1(CC2CC(=NO2)c2ccc(Cl)cc2)CCNCC1
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| InChI |
InChI=1S/C23H34ClN3O2/c1-2-3-4-5-6-13-26-22(28)23(11-14-25-15-12-23)17-20-16-21(27-29-20)18-7-9-19(24)10-8-18/h7-10,20,25H,2-6,11-17H2,1H3,(H,26,28)
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| InChIKey |
OYNKLJWZPHDEGJ-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