General Information of the Compound
| Compound ID |
CP0468569
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-phenylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C28H30F4N4O3S
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| Molecular Weight |
578.632
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCN(CC1)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H30F4N4O3S/c1-19(20-9-11-25(24(29)16-20)34-40(2,38)39)27(37)33-18-21-8-10-22(28(30,31)32)17-26(21)36-14-12-35(13-15-36)23-6-4-3-5-7-23/h3-11,16-17,19,34H,12-15,18H2,1-2H3,(H,33,37)
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| InChIKey |
SJWBUOFVKKLWHP-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