General Information of the Compound
| Compound ID |
CP0433535
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| Compound Name |
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(3-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)Cc1cccc(OC)c1
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| InChI |
InChI=1S/C28H31FN2O/c1-3-30(20-22-9-8-11-26(19-22)32-2)18-7-6-10-23-21-31(25-16-14-24(29)15-17-25)28-13-5-4-12-27(23)28/h4-5,8-9,11-17,19,21H,3,6-7,10,18,20H2,1-2H3
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| InChIKey |
SVKBPFJGAMFCQH-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