General Information of the Compound
| Compound ID |
CP0154694
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| Compound Name |
2-(5-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyrazin-2-yl)acetic acid
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| Structure |
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| Formula |
C21H23F3N4O4
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| Molecular Weight |
452.433
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| Canonical SMILES |
CCCc1c(OCCCN(C)c2cnc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-19(14)32-27-20(15)21(22,23)24)31-9-4-8-28(2)17-12-25-13(11-26-17)10-18(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)
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| InChIKey |
YOZGUTZZNGXRCT-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