General Information of the Compound
| Compound ID |
CP0442318
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| Compound Name |
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indol-5-ol
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C22H27N3O/c26-20-9-10-22-21(16-20)18(17-23-22)6-4-5-11-24-12-14-25(15-13-24)19-7-2-1-3-8-19/h1-3,7-10,16-17,23,26H,4-6,11-15H2
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| InChIKey |
HUPROOXJTZKFAQ-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