General Information of the Compound
| Compound ID |
CP0534355
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| Compound Name |
3-[2-(4-Isopropyl-phenyl)-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 |
C32H37N3O2
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| Molecular Weight |
495.667
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C32H37N3O2/c1-22(2)24-10-12-25(13-11-24)32-26(27-21-23(3)9-15-28(27)33-32)14-16-31(36)35-19-17-34(18-20-35)29-7-5-6-8-30(29)37-4/h5-13,15,21-22,33H,14,16-20H2,1-4H3
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| InChIKey |
GTSFMMMOSMNNCZ-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