General Information of the Compound
| Compound ID |
CP0405805
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| Compound Name |
(1S)-1-[2-[4-(7-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
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| InChI |
InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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| InChIKey |
PNTQCYZWFHYKJG-QHCPKHFHSA-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