General Information of the Compound
| Compound ID |
CP0449452
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| Compound Name |
8-fluoro-3-[4-(5-fluoro-1H-indol-3-yl)butyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
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| Structure |
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| Formula |
C25H29F2N3O2
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| Molecular Weight |
441.522
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| Canonical SMILES |
CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
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| InChI |
InChI=1S/C25H29F2N3O2/c1-2-10-30(11-4-3-5-16-14-29-23-9-6-17(26)12-20(16)23)18-13-21-19(25(28)31)7-8-22(27)24(21)32-15-18/h6-9,12,14,18,29H,2-5,10-11,13,15H2,1H3,(H2,28,31)
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| InChIKey |
AWTICCZHEMZKBF-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