General Information of the Compound
| Compound ID |
CP0379215
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| Compound Name |
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutan-1-amine
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| Structure |
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| Formula |
C28H31FN2O
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| Molecular Weight |
430.567
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| Canonical SMILES |
COc1cccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
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| InChI |
InChI=1S/C28H31FN2O/c1-30(19-17-22-8-7-10-26(20-22)32-2)18-6-5-9-23-21-31(25-15-13-24(29)14-16-25)28-12-4-3-11-27(23)28/h3-4,7-8,10-16,20-21H,5-6,9,17-19H2,1-2H3
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| InChIKey |
JGHIICRPNKBYFY-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