General Information of the Compound
| Compound ID |
CP0542797
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| Compound Name |
[6-[5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C35H29F4N7O4
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| Molecular Weight |
687.654
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3cccc(F)c3)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C35H29F4N7O4/c1-44-29-17-27(49-31-19-40-28(18-41-31)33-42-32(43-50-33)24-3-2-4-25(36)15-24)10-7-23(29)16-30(44)34(47)46-13-11-45(12-14-46)20-22-5-8-26(9-6-22)48-21-35(37,38)39/h2-10,15-19H,11-14,20-21H2,1H3
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| InChIKey |
SFGFREPWMHVLOR-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