General Information of the Compound
| Compound ID |
CP0528973
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| Compound Name |
3-[2-(4-Isopropyl-phenyl)-1,5-dimethyl-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 |
C33H39N3O2
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| Molecular Weight |
509.694
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(cc2)C(C)C)n(C)c2ccc(C)cc12
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| InChI |
InChI=1S/C33H39N3O2/c1-23(2)25-11-13-26(14-12-25)33-27(28-22-24(3)10-16-29(28)34(33)4)15-17-32(37)36-20-18-35(19-21-36)30-8-6-7-9-31(30)38-5/h6-14,16,22-23H,15,17-21H2,1-5H3
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| InChIKey |
OJHVYMWHUUMXOF-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