General Information of the Compound
| Compound ID |
CP0567915
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| Compound Name |
[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C28H30N4O2/c1-30-16-18-31(19-17-30)28(33)23-8-12-24(13-9-23)32-27(22-10-14-25(34-2)15-11-22)20-26(29-32)21-6-4-3-5-7-21/h3-15,27H,16-20H2,1-2H3
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| InChIKey |
MFSQJGPHXRHOPR-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