General Information of the Compound
| Compound ID |
CP0529676
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| Compound Name |
N-ethyl-N-[[5-(3-fluoropyridin-4-yl)-1-octylindol-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C26H36FN3
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| Molecular Weight |
409.593
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccncc1F
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| InChI |
InChI=1S/C26H36FN3/c1-4-7-8-9-10-11-16-30-20-22(19-29(5-2)6-3)24-17-21(12-13-26(24)30)23-14-15-28-18-25(23)27/h12-15,17-18,20H,4-11,16,19H2,1-3H3
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| InChIKey |
GREQWCDCQYKIDT-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