General Information of the Compound
| Compound ID |
CP0367679
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| Compound Name |
2-(1-benzylpiperazine-4-carbonyl)-4-isopropyl-3-methylisoxazol-5(2H)-one
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H25N3O3/c1-14(2)17-15(3)22(25-18(17)23)19(24)21-11-9-20(10-12-21)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3
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| InChIKey |
QOFXNCTZQHCZEJ-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