General Information of the Compound
| Compound ID |
CP0546306
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| Compound Name |
N-[(6-tert-butyl-2-cyclopentylsulfanylpyridin-3-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H34FN3O3S2
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| Molecular Weight |
507.697
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SC1CCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H34FN3O3S2/c1-16(17-10-12-21(20(26)14-17)29-34(5,31)32)23(30)27-15-18-11-13-22(25(2,3)4)28-24(18)33-19-8-6-7-9-19/h10-14,16,19,29H,6-9,15H2,1-5H3,(H,27,30)
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| InChIKey |
BLAHZSPYWXZAPN-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