General Information of the Compound
| Compound ID |
CP0391365
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| Compound Name |
2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
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| Structure |
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| Formula |
C21H19F6NS
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| Molecular Weight |
431.445
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| Canonical SMILES |
FC(F)(F)CC(c1cccs1)c1c([nH]c2cc(ccc12)C(F)(F)F)C1CCCC1
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| InChI |
InChI=1S/C21H19F6NS/c22-20(23,24)11-15(17-6-3-9-29-17)18-14-8-7-13(21(25,26)27)10-16(14)28-19(18)12-4-1-2-5-12/h3,6-10,12,15,28H,1-2,4-5,11H2
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| InChIKey |
PHKJPHLWAAFOMC-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