General Information of the Compound
| Compound ID |
CP0433165
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| Compound Name |
tert-butyl 3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]benzoate
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| Structure |
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| Formula |
C22H19F3N2O2
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| Molecular Weight |
400.4
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(=O)OC(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N2O2/c1-14-12-27-13-17(22(23,24)25)11-19(27)18(26-14)9-8-15-6-5-7-16(10-15)20(28)29-21(2,3)4/h5-7,10-13H,1-4H3
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| InChIKey |
RBKUXWNUYGJMQF-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