General Information of the Compound
| Compound ID |
CP0515056
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| Compound Name |
3,5-dimethyl-4-[3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]phenyl]-1,2-oxazole
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| Structure |
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| Formula |
C22H16F3N3O
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| Molecular Weight |
395.384
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| Canonical SMILES |
Cc1noc(C)c1-c1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H16F3N3O/c1-13-11-28-12-18(22(23,24)25)10-20(28)19(26-13)8-7-16-5-4-6-17(9-16)21-14(2)27-29-15(21)3/h4-6,9-12H,1-3H3
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| InChIKey |
DPLUKMMRMOVPQW-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