General Information of the Compound
| Compound ID |
CP0433179
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| Compound Name |
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-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 |
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C28H31FN2O/c1-3-30(20-22-11-17-26(32-2)18-12-22)19-7-6-8-23-21-31(25-15-13-24(29)14-16-25)28-10-5-4-9-27(23)28/h4-5,9-18,21H,3,6-8,19-20H2,1-2H3
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| InChIKey |
LRDDCXLWTMGDOF-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