General Information of the Compound
| Compound ID |
CP0802122
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| Compound Name |
N-[3-[(3,3-Difluoro-1-azetidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Trifluoroacetate
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| Structure |
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| Formula |
C19H17F5N8O2S
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| Molecular Weight |
516.456
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(F)(F)C3)ns2)n1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H16F2N8S.C2HF3O2/c1-10-6-27-13(11-3-21-22-4-11)5-20-16(27)15(23-10)24-14-2-12(25-28-14)7-26-8-17(18,19)9-26;3-2(4,5)1(6)7/h2-6H,7-9H2,1H3,(H,21,22)(H,23,24);(H,6,7)
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| InChIKey |
KLLCOGZYONXSNR-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