General Information of the Compound
| Compound ID |
CP0680616
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| Compound Name |
6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl]-3-(1Hpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride
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| Structure |
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| Formula |
C19H23ClN8S
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| Molecular Weight |
430.969
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cl
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| InChI |
InChI=1S/C19H22N8S.ClH/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26;/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24);1H
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| InChIKey |
NUIGNAVUCSIROJ-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