General Information of the Compound
| Compound ID |
CP0397111
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| Compound Name |
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]butan-1-amine
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| Structure |
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| Formula |
C29H33FN2O2
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| Molecular Weight |
460.593
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| Canonical SMILES |
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H33FN2O2/c1-4-31(20-22-12-17-28(33-2)29(19-22)34-3)18-8-7-9-23-21-32(25-15-13-24(30)14-16-25)27-11-6-5-10-26(23)27/h5-6,10-17,19,21H,4,7-9,18,20H2,1-3H3
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| InChIKey |
QRKWVWPQUBNIGQ-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