General Information of the Compound
| Compound ID |
CP0008392
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| Compound Name |
5-[7-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H26ClN9O3S
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| Molecular Weight |
508.008
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)
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| InChIKey |
NOCRVEDBMWCMTR-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