General Information of the Compound
| Compound ID |
CP0239055
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| Compound Name |
(4R)-4-[4-(difluoromethoxy)phenyl]-4-[3-(2-fluoropyridin-3-yl)phenyl]-5H-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C21H16F3N3O2
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| Molecular Weight |
399.372
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| Canonical SMILES |
NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C21H16F3N3O2/c22-18-17(5-2-10-26-18)13-3-1-4-15(11-13)21(12-28-20(25)27-21)14-6-8-16(9-7-14)29-19(23)24/h1-11,19H,12H2,(H2,25,27)/t21-/m1/s1
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| InChIKey |
ZRSKBWQUUIETSK-OAQYLSRUSA-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