General Information of the Compound
| Compound ID |
CP0480597
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| Compound Name |
2-[7-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-2-methylpyrrolo[1,2-b]pyridazin-5-yl]acetic acid
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| Structure |
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| Formula |
C25H22F3N3O3
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| Molecular Weight |
469.463
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| Canonical SMILES |
Cc1noc(C2CC2)c1Cc1cc(ccc1-c1cc(CC(O)=O)c2ccc(C)nn12)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O3/c1-13-3-8-21-17(12-23(32)33)11-22(31(21)29-13)19-7-6-18(25(26,27)28)9-16(19)10-20-14(2)30-34-24(20)15-4-5-15/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,32,33)
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| InChIKey |
XIIIQMWMUNCLMZ-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