General Information of the Compound
| Compound ID |
CP0909506
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| Compound Name |
N-({2-[(4-Bromo-2-trifluoromethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}methyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C24H26BrF3N2O4S
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| Molecular Weight |
575.447
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| Canonical SMILES |
O=C(NCC1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C24H26BrF3N2O4S/c25-18-10-11-22(21(14-18)34-24(26,27)28)35(32,33)30-13-12-16-6-4-5-9-19(16)20(30)15-29-23(31)17-7-2-1-3-8-17/h4-6,9-11,14,17,20H,1-3,7-8,12-13,15H2,(H,29,31)
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| InChIKey |
MVLDWIHLVLNVSO-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