General Information of the Compound
| Compound ID |
CP0205832
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| Compound Name |
6,7-dimethyl-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]chromen-4-one
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| Structure |
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| Formula |
C32H30F3N3O2
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| Molecular Weight |
545.605
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| Canonical SMILES |
Cc1cc2occ(CN3CCN(Cc4cn(-c5cccc(c5)C(F)(F)F)c5ccccc45)CC3)c(=O)c2cc1C
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| InChI |
InChI=1S/C32H30F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37-12-10-36(11-13-37)17-23-19-38(29-9-4-3-8-27(23)29)26-7-5-6-25(16-26)32(33,34)35/h3-9,14-16,19-20H,10-13,17-18H2,1-2H3
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| InChIKey |
HBUDZKAZALTXNS-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