General Information of the Compound
| Compound ID |
CP0496629
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| Compound Name |
3-[2-(4-Chloro-phenyl)-5-trifluoromethoxy-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 |
C29H27ClF3N3O3
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| Molecular Weight |
558
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H27ClF3N3O3/c1-38-26-5-3-2-4-25(26)35-14-16-36(17-15-35)27(37)13-11-22-23-18-21(39-29(31,32)33)10-12-24(23)34-28(22)19-6-8-20(30)9-7-19/h2-10,12,18,34H,11,13-17H2,1H3
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| InChIKey |
INYRSRVWJHHQCB-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