General Information of the Compound
| Compound ID |
CP0511469
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| Compound Name |
3-(4-bromophenyl)-N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C32H32BrF3N6O2
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| Molecular Weight |
669.546
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(n[nH]4)-c4ccc(Br)cc4)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H32BrF3N6O2/c1-3-41-12-14-42(15-13-41)19-23-8-11-25(17-26(23)32(34,35)36)37-30(43)22-5-4-20(2)27(16-22)38-31(44)29-18-28(39-40-29)21-6-9-24(33)10-7-21/h4-11,16-18H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,44)(H,39,40)
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| InChIKey |
LWOQARAPSINWHX-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