General Information of the Compound
| Compound ID |
CP0647445
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| Compound Name |
6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[(3,3,4,4-tetrafluoro-1-pyrrolidinyl)methyl]-5-isothiazolyl]imidazo[1,2-a]pyrazin-8-amine Hydrochloride
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| Structure |
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| Formula |
C18H17ClF4N8S
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| Molecular Weight |
488.902
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(F)(F)C(F)(F)C3)ns2)n1.Cl
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| InChI |
InChI=1S/C18H16F4N8S.ClH/c1-10-6-30-13(11-3-24-25-4-11)5-23-16(30)15(26-10)27-14-2-12(28-31-14)7-29-8-17(19,20)18(21,22)9-29;/h2-6H,7-9H2,1H3,(H,24,25)(H,26,27);1H
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| InChIKey |
ZPCNGKXIFOTRNL-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