General Information of the Compound
| Compound ID |
CP0516471
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| Compound Name |
[1-[2-(3-fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazin-7-yl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(F)c1
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| InChI |
InChI=1S/C22H21FN4O/c1-16-14-27-15-18(22(28)26-10-8-25(2)9-11-26)13-21(27)20(24-16)7-6-17-4-3-5-19(23)12-17/h3-5,12-15H,8-11H2,1-2H3
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| InChIKey |
MJKZXULVVQVVJH-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