General Information of the Compound
| Compound ID |
CP0695277
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| Compound Name |
4'-((3-butyl-1-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)methyl)-N-(3,4-dimethylisoxazol-5-yl)biphenyl-2-sulfonamide
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| Structure |
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| Formula |
C30H30ClN5O4S
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| Molecular Weight |
592.121
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| Canonical SMILES |
CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C30H30ClN5O4S/c1-4-5-14-28-32-36(26-12-8-7-11-25(26)31)30(37)35(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)41(38,39)34-29-20(2)21(3)33-40-29/h6-13,15-18,34H,4-5,14,19H2,1-3H3
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| InChIKey |
KQTXBXFCFQJGGY-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