General Information of the Compound
| Compound ID |
CP0515060
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| Compound Name |
1-[2-(3-chlorophenyl)ethynyl]-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C17H10ClF3N2
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| Molecular Weight |
334.728
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H10ClF3N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-14(18)7-12/h2-4,7-10H,1H3
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| InChIKey |
RLCKXOCECMYUNN-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