General Information of the Compound
| Compound ID |
CP0495106
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| Compound Name |
5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-4-carboxylic acid amide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C26H27N5O2/c27-16-18-4-5-22-21(15-18)19(17-29-22)3-1-2-9-30-10-12-31(13-11-30)23-6-7-24-20(8-14-33-24)25(23)26(28)32/h4-8,14-15,17,29H,1-3,9-13H2,(H2,28,32)
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| InChIKey |
PBHMSZAQUTYCEO-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