General Information of the Compound
| Compound ID |
CP0104024
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| Compound Name |
2-(3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-1H-pyrrol-1-yl)benzonitrile
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C#N)CC1
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| InChI |
InChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3
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| InChIKey |
ZWXPEPNHGUBVMQ-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