General Information of the Compound
| Compound ID |
CP0127245
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| Compound Name |
3-[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazine-1-carbonyl]chromen-4-one
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| Structure |
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| Formula |
C30H24F3N3O3
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| Molecular Weight |
531.534
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-n1cc(CN2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2ccccc12
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| InChI |
InChI=1S/C30H24F3N3O3/c31-30(32,33)21-6-5-7-22(16-21)36-18-20(23-8-1-3-10-26(23)36)17-34-12-14-35(15-13-34)29(38)25-19-39-27-11-4-2-9-24(27)28(25)37/h1-11,16,18-19H,12-15,17H2
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| InChIKey |
PQRRVJMNTHVPPC-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