General Information of the Compound
| Compound ID |
CP0363899
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| Compound Name |
6-methyl-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 |
C31H28F3N3O2
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| Molecular Weight |
531.578
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| Canonical SMILES |
Cc1ccc2occ(CN3CCN(Cc4cn(-c5cccc(c5)C(F)(F)F)c5ccccc45)CC3)c(=O)c2c1
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| InChI |
InChI=1S/C31H28F3N3O2/c1-21-9-10-29-27(15-21)30(38)23(20-39-29)18-36-13-11-35(12-14-36)17-22-19-37(28-8-3-2-7-26(22)28)25-6-4-5-24(16-25)31(32,33)34/h2-10,15-16,19-20H,11-14,17-18H2,1H3
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| InChIKey |
IZDAKKZWUYYSLJ-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