General Information of the Compound
| Compound ID |
CP0887424
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| Compound Name |
Sodium{3-[2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-4-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanoyl}(pentylsulfonyl)azanide
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| Structure |
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| Formula |
C25H31ClF3N2NaO6S
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| Molecular Weight |
603.035
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| Canonical SMILES |
CCCCCS(=O)(=O)[N-]C(=O)C(C)(C)Cc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl.[Na+]
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| InChI |
InChI=1S/C25H32ClF3N2O6S.Na/c1-5-6-7-12-38(33,34)31-23(32)24(2,3)15-17-8-9-19(36-11-10-35-4)14-21(17)37-22-20(26)13-18(16-30-22)25(27,28)29;/h8-9,13-14,16H,5-7,10-12,15H2,1-4H3,(H,31,32);/q;+1/p-1
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| InChIKey |
JUFSIMAJPNXMQX-UHFFFAOYSA-M
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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