General Information of the Compound
| Compound ID |
CP0656035
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| Compound Name |
2-[(2,2-Difluoroethyl)[[5-[[6-methyl-3-(1Hpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-isothiazolyl]methyl]-amino]-2-methyl-1-propanol Hydrochloride
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| Structure |
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| Formula |
C20H25ClF2N8OS
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| Molecular Weight |
498.991
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| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1.Cl
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| InChI |
InChI=1S/C20H24F2N8OS.ClH/c1-12-8-30-15(13-5-24-25-6-13)7-23-19(30)18(26-12)27-17-4-14(28-32-17)9-29(10-16(21)22)20(2,3)11-31;/h4-8,16,31H,9-11H2,1-3H3,(H,24,25)(H,26,27);1H
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| InChIKey |
AMPWFXUQHOPVKZ-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