General Information of the Compound
| Compound ID |
CP0845192
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| Compound Name |
4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohexanecarboxylic acid (6-methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
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| Formula |
C31H36FN3O4S
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| Molecular Weight |
565.711
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| Canonical SMILES |
COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1
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| InChI |
InChI=1S/C31H36FN3O4S/c1-39-25-13-14-26-24(18-25)12-15-29(27(26)17-22-5-4-16-33-19-22)35-31(36)23-10-8-21(9-11-23)20-34-40(37,38)30-7-3-2-6-28(30)32/h2-7,13-14,16,18-19,21,23,27,29,34H,8-12,15,17,20H2,1H3,(H,35,36)/t21-,23-,27?,29?
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| InChIKey |
NQWFHTOYNNSADF-FOTVVULGSA-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