General Information of the Compound
| Compound ID |
CP0454639
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| Compound Name |
3-[1,5-Dimethyl-2-(4-trifluoromethyl-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 |
C31H32F3N3O2
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| Molecular Weight |
535.61
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(cc2)C(F)(F)F)n(C)c2ccc(C)cc12
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| InChI |
InChI=1S/C31H32F3N3O2/c1-21-8-14-26-25(20-21)24(30(35(26)2)22-9-11-23(12-10-22)31(32,33)34)13-15-29(38)37-18-16-36(17-19-37)27-6-4-5-7-28(27)39-3/h4-12,14,20H,13,15-19H2,1-3H3
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| InChIKey |
XEYYVWMDLVCPNB-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