General Information of the Compound
| Compound ID |
CP0545463
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| Compound Name |
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
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| Structure |
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| Formula |
C34H27BrF3N7O3
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| Molecular Weight |
718.534
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| Canonical SMILES |
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C34H27BrF3N7O3/c1-43-28-17-26(11-6-23(28)16-29(43)33(46)45-14-12-44(13-15-45)20-21-2-9-25(35)10-3-21)47-30-19-39-27(18-40-30)32-41-31(42-48-32)22-4-7-24(8-5-22)34(36,37)38/h2-11,16-19H,12-15,20H2,1H3
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| InChIKey |
NLNKTPLLYNWLQT-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