General Information of the Compound
| Compound ID |
CP0374515
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| Compound Name |
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C24H28N4O
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| Molecular Weight |
388.515
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C24H28N4O/c1-29-24-8-3-2-7-23(24)28-14-12-27(13-15-28)11-5-4-6-20-18-26-22-10-9-19(17-25)16-21(20)22/h2-3,7-10,16,18,26H,4-6,11-15H2,1H3
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| InChIKey |
CIPDKOWUWNPALY-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