General Information of the Compound
| Compound ID |
CP0482223
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| Compound Name |
N-[[5-tert-butyl-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C33H37FN4O3S
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| Molecular Weight |
588.749
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(\C=C\c2ccc(C)cc2)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C33H37FN4O3S/c1-22-7-9-24(10-8-22)11-12-25-13-16-27(17-14-25)38-28(20-31(36-38)33(3,4)5)21-35-32(39)23(2)26-15-18-30(29(34)19-26)37-42(6,40)41/h7-20,23,37H,21H2,1-6H3,(H,35,39)/b12-11+
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| InChIKey |
RAMHIFMSBXULOH-VAWYXSNFSA-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