General Information of the Compound
| Compound ID |
CP0576092
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| Compound Name |
ethyl 2-[2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-1-yl]acetate
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| Structure |
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| Formula |
C39H33F6N7O6
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| Molecular Weight |
809.724
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| Canonical SMILES |
CCOC(=O)Cn1c(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/C39H33F6N7O6/c1-2-55-34(53)22-52-31-18-29(57-33-20-46-30(19-47-33)36-48-35(49-58-36)25-5-8-27(9-6-25)39(43,44)45)12-7-26(31)17-32(52)37(54)51-15-13-50(14-16-51)21-24-3-10-28(11-4-24)56-23-38(40,41)42/h3-12,17-20H,2,13-16,21-23H2,1H3
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| InChIKey |
GYWITUVXYLEZTD-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