General Information of the Compound
| Compound ID |
CP0548858
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| Compound Name |
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C24H30N4O2
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| Molecular Weight |
406.53
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
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| InChI |
InChI=1S/C24H30N4O2/c1-30-23-8-3-2-7-22(23)28-14-12-27(13-15-28)11-5-4-6-19-17-26-21-10-9-18(24(25)29)16-20(19)21/h2-3,7-10,16-17,26H,4-6,11-15H2,1H3,(H2,25,29)
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| InChIKey |
DCVFPUZNCLIHIT-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