General Information of the Compound
| Compound ID |
CP0912172
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| Compound Name |
(4Z)-5-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]-phenylmethylidene]-2-phenylpyrazol-3-one
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| Structure |
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| Formula |
C28H28N4O
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| Molecular Weight |
436.559
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| Canonical SMILES |
CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccccc1)N1CCN(c2ccccc2C)CC1
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| InChI |
InChI=1S/C28H28N4O/c1-21-11-9-10-16-25(21)30-17-19-31(20-18-30)27(23-12-5-3-6-13-23)26-22(2)29-32(28(26)33)24-14-7-4-8-15-24/h3-16H,17-20H2,1-2H3/b27-26-
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| InChIKey |
BZKVKMVLJFZIQQ-RQZHXJHFSA-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