General Information of the Compound
| Compound ID |
CP0814301
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| Compound Name |
N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)isothiazol-5-amine Hydrochloride
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| Structure |
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| Formula |
C18H21ClN8S
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| Molecular Weight |
416.942
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)ns2)n1.Cl
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| InChI |
InChI=1S/C18H20N8S.ClH/c1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-27-16)11-25-4-2-3-5-25;/h6-10H,2-5,11H2,1H3,(H,20,21)(H,22,23);1H
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| InChIKey |
SDIXFDSIWUVXDX-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