General Information of the Compound
| Compound ID |
CP0551764
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| Compound Name |
3-{4-[4-(4-Benzyloxy-phenyl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OCc4ccccc4)cc3)c2c1
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| InChI |
InChI=1S/C30H35N3O2/c1-34-28-14-15-30-29(21-28)25(22-31-30)9-5-6-16-32-17-19-33(20-18-32)26-10-12-27(13-11-26)35-23-24-7-3-2-4-8-24/h2-4,7-8,10-15,21-22,31H,5-6,9,16-20,23H2,1H3
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| InChIKey |
AQLHFZXPURDXGQ-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