General Information of the Compound
| Compound ID |
CP0513872
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| Compound Name |
5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
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| Structure |
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
COc1ccc(CCOc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1
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| InChI |
InChI=1S/C24H30N2O4/c1-16(2)26-23(27)24(3,4)22(25-26)18-9-12-20(29-6)21(15-18)30-14-13-17-7-10-19(28-5)11-8-17/h7-12,15-16H,13-14H2,1-6H3
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| InChIKey |
ZISXSDNULHNXTK-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