General Information of the Compound
| Compound ID |
CP0374878
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| Compound Name |
1-{2-[4-(6-Fluoro-1-methyl-1H-indazol-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 |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
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| InChI |
InChI=1S/C25H27FN4O2/c1-29-22-15-19(26)3-5-21(22)24(28-29)16-6-10-30(11-7-16)12-8-23-20-4-2-18(25(27)31)14-17(20)9-13-32-23/h2-6,14-15,23H,7-13H2,1H3,(H2,27,31)
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| InChIKey |
MWMKLQFOQVUILF-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