General Information of the Compound
| Compound ID |
CP0466849
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| Compound Name |
4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohexanecarboxylic acid (7-methoxy-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-amide
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| Formula |
C27H32FN3O4S
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| Molecular Weight |
513.635
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| Canonical SMILES |
COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1
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| InChI |
InChI=1S/C27H32FN3O4S/c1-35-20-11-12-21-19(14-20)10-13-24-22(21)15-26(30-24)31-27(32)18-8-6-17(7-9-18)16-29-36(33,34)25-5-3-2-4-23(25)28/h2-5,11-12,14,17-18,22,24,29H,6-10,13,15-16H2,1H3,(H,30,31,32)/t17-,18-,22?,24?
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| InChIKey |
CLEMXLZAWLNLNN-CLNWYZMASA-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