General Information of the Compound
| Compound ID |
CP0647442
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| Compound Name |
6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[(3,3,3-trifluoropropyl)-amino]methyl]-5-isothiazolyl]imidazo[1,2-a]pyrazin-8-amine Hydrochloride
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| Structure |
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| Formula |
C17H18ClF3N8S
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| Molecular Weight |
458.901
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCCC(F)(F)F)ns2)n1.Cl
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| InChI |
InChI=1S/C17H17F3N8S.ClH/c1-10-9-28-13(11-5-23-24-6-11)8-22-16(28)15(25-10)26-14-4-12(27-29-14)7-21-3-2-17(18,19)20;/h4-6,8-9,21H,2-3,7H2,1H3,(H,23,24)(H,25,26);1H
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| InChIKey |
IZQBDZNNSDJCSW-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