General Information of the Compound
| Compound ID |
CP0065171
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| Compound Name |
2-(1-(2-chlorophenyl)piperazine-4-carbonyl)-4-isopropyl-3-methylisoxazol-5(2H)-one
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| Structure |
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| Formula |
C18H22ClN3O3
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| Molecular Weight |
363.845
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N1CCN(CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C18H22ClN3O3/c1-12(2)16-13(3)22(25-17(16)23)18(24)21-10-8-20(9-11-21)15-7-5-4-6-14(15)19/h4-7,12H,8-11H2,1-3H3
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| InChIKey |
WVWDWZAHENFREE-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