General Information of the Compound
| Compound ID |
CP0391233
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| Compound Name |
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-5-pentyloxy-1H-indole
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| Structure |
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| Formula |
C28H39N3O2
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| Molecular Weight |
449.639
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| Canonical SMILES |
CCCCCOc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
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| InChI |
InChI=1S/C28H39N3O2/c1-3-4-7-20-33-26-13-14-28-27(21-26)23(22-29-28)8-5-6-15-30-16-18-31(19-17-30)24-9-11-25(32-2)12-10-24/h9-14,21-22,29H,3-8,15-20H2,1-2H3
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| InChIKey |
WQLVHDHVUFPOBT-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