General Information of the Compound
| Compound ID |
CP0523025
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| Compound Name |
2-[4-[(6-bromo-2-butylbenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C29H29BrN4O3S
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| Molecular Weight |
593.547
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| Canonical SMILES |
CCCCc1nc2ccc(Br)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C29H29BrN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3
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| InChIKey |
PDVOEHGCFMJVQS-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