General Information of the Compound
| Compound ID |
CP0575017
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| Compound Name |
(4-ethylpiperazin-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 |
C29H26F3N7O3
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| Molecular Weight |
577.567
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)c1cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(cc3)C(F)(F)F)cc2n1C
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| InChI |
InChI=1S/C29H26F3N7O3/c1-3-38-10-12-39(13-11-38)28(40)24-14-19-6-9-21(15-23(19)37(24)2)41-25-17-33-22(16-34-25)27-35-26(36-42-27)18-4-7-20(8-5-18)29(30,31)32/h4-9,14-17H,3,10-13H2,1-2H3
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| InChIKey |
NVEVZABJQGHBJA-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