General Information of the Compound
| Compound ID |
CP0013645
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| Compound Name |
5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H25ClN10O3S
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| Molecular Weight |
508.996
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)
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| InChIKey |
IZSUSVHQPBIXPL-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