General Information of the Compound
| Compound ID |
CP0545462
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| Compound Name |
methyl 2-[4-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindole-2-carbonyl]piperazin-1-yl]acetate
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| Structure |
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| Formula |
C30H26F3N7O5
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| Molecular Weight |
621.576
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| Canonical SMILES |
COC(=O)CN1CCN(CC1)C(=O)c1cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc2n1C
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| InChI |
InChI=1S/C30H26F3N7O5/c1-38-23-14-21(8-5-19(23)13-24(38)29(42)40-11-9-39(10-12-40)17-26(41)43-2)44-25-16-34-22(15-35-25)28-36-27(37-45-28)18-3-6-20(7-4-18)30(31,32)33/h3-8,13-16H,9-12,17H2,1-2H3
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| InChIKey |
AFBAFSYOMSJCRH-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