General Information of the Compound
| Compound ID |
CP0536929
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| Compound Name |
[3-methyl-1-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C22H18F3N3O2
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| Molecular Weight |
413.399
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C22H18F3N3O2/c1-15-13-28-14-17(21(29)27-7-9-30-10-8-27)12-20(28)19(26-15)6-5-16-3-2-4-18(11-16)22(23,24)25/h2-4,11-14H,7-10H2,1H3
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| InChIKey |
WOVCIYDTMVKXAA-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