General Information of the Compound
| Compound ID |
CP0507595
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| Compound Name |
4-methyl-N-((5-methylbenzo[d]isoxazol-3-yl)methyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C15H20N4O2
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| Molecular Weight |
288.351
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| Canonical SMILES |
CN1CCN(CC1)C(=O)NCc1noc2ccc(C)cc12
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| InChI |
InChI=1S/C15H20N4O2/c1-11-3-4-14-12(9-11)13(17-21-14)10-16-15(20)19-7-5-18(2)6-8-19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)
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| InChIKey |
DBBQXPZCMADGAW-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