General Information of the Compound
| Compound ID |
CP0545466
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| Compound Name |
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone
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| Structure |
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| Formula |
C35H27F6N7O4
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| Molecular Weight |
723.634
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2cc3ccc(Oc4cnc(cn4)-c4nc(no4)-c4ccc(cc4)C(F)(F)F)cc3[nH]2)cc1
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| InChI |
InChI=1S/C35H27F6N7O4/c36-34(37,38)20-50-25-8-1-21(2-9-25)19-47-11-13-48(14-12-47)33(49)28-15-23-5-10-26(16-27(23)44-28)51-30-18-42-29(17-43-30)32-45-31(46-52-32)22-3-6-24(7-4-22)35(39,40)41/h1-10,15-18,44H,11-14,19-20H2
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| InChIKey |
JVHCIACLHILORV-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