General Information of the Compound
| Compound ID |
CP0444322
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| Compound Name |
[4-[5-tert-butyl-3-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Formula |
C26H33FN4O2
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| Molecular Weight |
452.574
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| Canonical SMILES |
COc1ccc(cc1F)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)C(C)(C)C
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| InChI |
InChI=1S/C26H33FN4O2/c1-26(2,3)24-17-22(19-8-11-23(33-5)21(27)16-19)31(28-24)20-9-6-18(7-10-20)25(32)30-14-12-29(4)13-15-30/h6-11,16,22H,12-15,17H2,1-5H3
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| InChIKey |
HZTLKRIVTQMRCG-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