General Information of the Compound
| Compound ID |
CP0529679
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| Compound Name |
N-ethyl-N-[[1-octyl-5-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C28H37F3N2
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| Molecular Weight |
458.612
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H37F3N2/c1-4-7-8-9-10-11-17-33-21-24(20-32(5-2)6-3)26-19-23(15-16-27(26)33)22-13-12-14-25(18-22)28(29,30)31/h12-16,18-19,21H,4-11,17,20H2,1-3H3
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| InChIKey |
BFWRAUFSZYBRKW-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