General Information of the Compound
| Compound ID |
CP0847533
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| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (1-allyl-6-fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
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| Formula |
C27H33FN2O3S
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| Molecular Weight |
484.637
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| Canonical SMILES |
C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H33FN2O3S/c1-2-6-25-24-15-14-22(28)17-21(24)13-16-26(25)30-27(31)20-11-9-19(10-12-20)18-29-34(32,33)23-7-4-3-5-8-23/h2-5,7-8,14-15,17,19-20,25-26,29H,1,6,9-13,16,18H2,(H,30,31)/t19-,20-,25?,26?
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| InChIKey |
VYJLFWQNAXRRCH-WBZLKKPZSA-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