General Information of the Compound
| Compound ID |
CP0453351
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| Compound Name |
3-[1-Benzyl-5-chloro-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 |
C35H33Cl2N3O2
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| Molecular Weight |
598.574
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C35H33Cl2N3O2/c1-42-33-10-6-5-9-32(33)38-19-21-39(22-20-38)34(41)18-16-29-30-23-28(37)15-17-31(30)40(24-25-7-3-2-4-8-25)35(29)26-11-13-27(36)14-12-26/h2-15,17,23H,16,18-22,24H2,1H3
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| InChIKey |
DEBQWXDHKUFHDT-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