General Information of the Compound
| Compound ID |
CP0552431
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| Compound Name |
N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyrazin-2-yl]ethyl]acetamide
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| Structure |
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| Formula |
C25H25F2N3O4
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| Molecular Weight |
469.488
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| Canonical SMILES |
CC(NC(C)=O)c1cnc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1
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| InChI |
InChI=1S/C25H25F2N3O4/c1-15(30-16(2)31)24-11-29-25(12-28-24)33-14-21-22(26)9-20(10-23(21)27)34-19-5-3-4-18(8-19)32-13-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,30,31)
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| InChIKey |
VMXGIEFLLPSRDD-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2