General Information of the Compound
| Compound ID |
CP0374733
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C29H32F4N4O4S
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| Molecular Weight |
608.658
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)c1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F4N4O4S/c1-19(20-5-11-26(25(30)16-20)35-42(3,39)40)28(38)34-18-21-4-6-22(29(31,32)33)17-27(21)37-14-12-36(13-15-37)23-7-9-24(41-2)10-8-23/h4-11,16-17,19,35H,12-15,18H2,1-3H3,(H,34,38)
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| InChIKey |
JALAOUUCVOKBPN-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