General Information of the Compound
| Compound ID |
CP0083136
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| Compound Name |
1-(2-Methoxy-phenyl)-4-(1-o-tolyl-1H-pyrrol-3-ylmethyl)-piperazine
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| Structure |
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| Formula |
C23H27N3O
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| Molecular Weight |
361.489
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C)CC1
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| InChI |
InChI=1S/C23H27N3O/c1-19-7-3-4-8-21(19)26-12-11-20(18-26)17-24-13-15-25(16-14-24)22-9-5-6-10-23(22)27-2/h3-12,18H,13-17H2,1-2H3
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| InChIKey |
DTNYAHQRGGTLBQ-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