General Information of the Compound
| Compound ID |
CP0088145
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| Compound Name |
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
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| InChIKey |
UPXJKNQVKALXKP-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