General Information of the Compound
| Compound ID |
CP0412888
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| Compound Name |
(4-methylpiperazin-1-yl)-[3-methyl-1-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C23H21F3N4O
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| Molecular Weight |
426.442
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N4O/c1-16-14-30-15-18(22(31)29-10-8-28(2)9-11-29)13-21(30)20(27-16)7-6-17-4-3-5-19(12-17)23(24,25)26/h3-5,12-15H,8-11H2,1-2H3
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| InChIKey |
STCYQGMPJYRSFX-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