General Information of the Compound
| Compound ID |
CP0497840
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| Compound Name |
4-{4-[4-(5-Methoxy-1H-indol-3-yl)-butyl]-piperazin-1-yl}-phenol
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
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| InChI |
InChI=1S/C23H29N3O2/c1-28-21-9-10-23-22(16-21)18(17-24-23)4-2-3-11-25-12-14-26(15-13-25)19-5-7-20(27)8-6-19/h5-10,16-17,24,27H,2-4,11-15H2,1H3
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| InChIKey |
QZPJXIWUORTZLP-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