General Information of the Compound
| Compound ID |
CP0702733
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| Compound Name |
6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[4-(trifluoromethyl)-1-piperidinyl]methyl]-5-isothiazolyl]imidazo[1,2-a]pyrazin-8-amine Hydrochloride
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| Structure |
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| Formula |
C20H22ClF3N8S
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| Molecular Weight |
498.966
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C(F)(F)F)CC3)ns2)n1.Cl
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| InChI |
InChI=1S/C20H21F3N8S.ClH/c1-12-10-31-16(13-7-25-26-8-13)9-24-19(31)18(27-12)28-17-6-15(29-32-17)11-30-4-2-14(3-5-30)20(21,22)23;/h6-10,14H,2-5,11H2,1H3,(H,25,26)(H,27,28);1H
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| InChIKey |
KJIKCAHAFXVFLF-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