General Information of the Compound
| Compound ID |
CP0496802
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| Compound Name |
(R)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
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| Structure |
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| Formula |
C23H25F2N3O2
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| Molecular Weight |
413.468
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| Canonical SMILES |
CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
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| InChI |
InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m1/s1
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| InChIKey |
PLUNBASRAODYBA-MRXNPFEDSA-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