General Information of the Compound
| Compound ID |
CP0578518
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-methoxyindole
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
COc1ccc2n(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C30H35N3O/c1-34-28-14-15-29-27(24-28)16-19-32(29)18-9-8-17-31-20-22-33(23-21-31)30(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-16,19,24,30H,8-9,17-18,20-23H2,1H3
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| InChIKey |
RRSIEECFZBTGLB-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