General Information of the Compound
| Compound ID |
CP0394912
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| Compound Name |
N,N-dimethyl-4-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]aniline
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| Structure |
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| Formula |
C19H16F3N3
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| Molecular Weight |
343.352
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| Canonical SMILES |
CN(C)c1ccc(cc1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C19H16F3N3/c1-13-11-25-12-15(19(20,21)22)10-18(25)17(23-13)9-6-14-4-7-16(8-5-14)24(2)3/h4-5,7-8,10-12H,1-3H3
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| InChIKey |
IBADKRNVNHVAIW-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