General Information of the Compound
| Compound ID |
CP0497076
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| Compound Name |
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
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| InChI |
InChI=1S/C25H31N3O2/c1-29-22-6-7-24-23(17-22)20(18-26-24)4-2-3-10-27-11-13-28(14-12-27)21-5-8-25-19(16-21)9-15-30-25/h5-8,16-18,26H,2-4,9-15H2,1H3
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| InChIKey |
FBORTSDQSNZPLD-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