General Information of the Compound
| Compound ID |
CP0424587
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| Compound Name |
3-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C28H28ClN3O2
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| Molecular Weight |
474.004
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H28ClN3O2/c1-34-26-9-5-4-8-25(26)31-16-18-32(19-17-31)27(33)15-14-23-22-6-2-3-7-24(22)30-28(23)20-10-12-21(29)13-11-20/h2-13,30H,14-19H2,1H3
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| InChIKey |
MTESWQRTXYKYRE-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