General Information of the Compound
| Compound ID |
CP0454773
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| Compound Name |
3-(2-Biphenyl-4-yl-5-methyl-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 |
C35H35N3O2
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| Molecular Weight |
529.684
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3
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| InChIKey |
ACJFETYSCBTCMR-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