General Information of the Compound
| Compound ID |
CP0491184
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| Compound Name |
3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1
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| InChI |
InChI=1S/C25H23N3O2/c1-29-20-3-4-21-19(16-30-25(21)13-20)8-11-28-9-6-18(7-10-28)23-15-27-24-5-2-17(14-26)12-22(23)24/h2-6,12-13,15-16,27H,7-11H2,1H3
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| InChIKey |
CWWTZVVVIFSITH-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