General Information of the Compound
| Compound ID |
CP0486420
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| Compound Name |
3-{4-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C24H27ClN4O
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| Molecular Weight |
422.96
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| Canonical SMILES |
COc1ccc(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C24H27ClN4O/c1-30-24-8-6-20(25)15-23(24)29-12-10-28(11-13-29)9-3-2-4-19-17-27-22-7-5-18(16-26)14-21(19)22/h5-8,14-15,17,27H,2-4,9-13H2,1H3
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| InChIKey |
XWSOEEKZADLHFF-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