General Information of the Compound
| Compound ID |
CP0500968
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| Compound Name |
2-(4-(1H-imidazol-1-yl)-2-(trifluoromethyl)phenoxy)-4-(benzo[d][1,3]dioxol-5-yloxy)-6-methylpyrimidine
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| Structure |
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| Formula |
C22H15F3N4O4
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| Molecular Weight |
456.38
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| Canonical SMILES |
Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2C(F)(F)F)-n2ccnc2)n1
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| InChI |
InChI=1S/C22H15F3N4O4/c1-13-8-20(32-15-3-5-18-19(10-15)31-12-30-18)28-21(27-13)33-17-4-2-14(29-7-6-26-11-29)9-16(17)22(23,24)25/h2-11H,12H2,1H3
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| InChIKey |
LWYVGRHQPVLTAP-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