General Information of the Compound
| Compound ID |
CP0502822
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| Compound Name |
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C22H25FN2O2
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| Molecular Weight |
368.452
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| Canonical SMILES |
COc1cccc2OCC(Cc12)N(C)CCCc1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C22H25FN2O2/c1-25(17-12-19-21(26-2)6-3-7-22(19)27-14-17)10-4-5-15-13-24-20-9-8-16(23)11-18(15)20/h3,6-9,11,13,17,24H,4-5,10,12,14H2,1-2H3
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| InChIKey |
DVPDEYGRKNNDDO-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