General Information of the Compound
| Compound ID |
CP0471466
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| Compound Name |
1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
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| Structure |
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| Formula |
C25H25F2N3O2
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| Molecular Weight |
437.49
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| Canonical SMILES |
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
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| InChI |
InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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| InChIKey |
JBFPRZFBWYBGPQ-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D