General Information of the Compound
| Compound ID |
CP0519295
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| Compound Name |
N-[[4-tert-butyl-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C31H39FN4O3S
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| Molecular Weight |
566.743
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCN(CC1)c1ccccc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C31H39FN4O3S/c1-22(23-12-14-28(27(32)19-23)34-40(5,38)39)30(37)33-21-24-11-13-25(31(2,3)4)20-29(24)36-17-15-35(16-18-36)26-9-7-6-8-10-26/h6-14,19-20,22,34H,15-18,21H2,1-5H3,(H,33,37)
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| InChIKey |
STJXZGRWSDUFHU-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