General Information of the Compound
| Compound ID |
CP0579165
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-7-methylindole
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| Structure |
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| Formula |
C30H35N3
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| Molecular Weight |
437.631
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| Canonical SMILES |
Cc1cccc2ccn(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
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| InChI |
InChI=1S/C30H35N3/c1-25-11-10-16-28-17-20-32(29(25)28)19-9-8-18-31-21-23-33(24-22-31)30(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-7,10-17,20,30H,8-9,18-19,21-24H2,1H3
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| InChIKey |
MMVCFWIFRFFNLQ-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