General Information of the Compound
| Compound ID |
CP0361036
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| Compound Name |
4-Isopropyl-2-[4-(3-methoxy-phenyl)-piperazine-1-carbonyl]-3-methyl-2H-isoxazol-5-one
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| Structure |
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| Formula |
C19H25N3O4
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| Molecular Weight |
359.426
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
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| InChI |
InChI=1S/C19H25N3O4/c1-13(2)17-14(3)22(26-18(17)23)19(24)21-10-8-20(9-11-21)15-6-5-7-16(12-15)25-4/h5-7,12-13H,8-11H2,1-4H3
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| InChIKey |
LTAYABRJJNJIQM-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