General Information of the Compound
| Compound ID |
CP0542796
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| Compound Name |
[1-(2-methoxyethyl)-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C38H33F6N7O5
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| Molecular Weight |
781.714
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| Canonical SMILES |
COCCn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C38H33F6N7O5/c1-53-17-16-51-31-19-29(55-33-21-45-30(20-46-33)35-47-34(48-56-35)25-4-7-27(8-5-25)38(42,43)44)11-6-26(31)18-32(51)36(52)50-14-12-49(13-15-50)22-24-2-9-28(10-3-24)54-23-37(39,40)41/h2-11,18-21H,12-17,22-23H2,1H3
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| InChIKey |
ZWVQSYNCQPUXLL-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