General Information of the Compound
| Compound ID |
CP0252376
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| Compound Name |
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C24H29FN2O2
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| Molecular Weight |
396.506
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| Canonical SMILES |
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
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| InChI |
InChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3
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| InChIKey |
RGINBKVNVZEJNN-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