General Information of the Compound
| Compound ID |
CP0408328
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| Compound Name |
N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C23H27FN2O2
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| Molecular Weight |
382.479
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| Canonical SMILES |
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
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| InChI |
InChI=1S/C23H27FN2O2/c1-3-26(18-13-20-22(27-2)7-4-8-23(20)28-15-18)11-5-6-16-14-25-21-10-9-17(24)12-19(16)21/h4,7-10,12,14,18,25H,3,5-6,11,13,15H2,1-2H3
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| InChIKey |
RMGYTGHXLUNSGI-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter