General Information of the Compound
| Compound ID |
CP0875123
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| Compound Name |
[6-Dimethylaminomethyl)-5,7-dimethyl-3-(3-chlorophenylsulfonyl)-pyrazolo[1,5-a]pyrimidin-2-yl]-methylamine
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| Structure |
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| Formula |
C18H22ClN5O2S
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| Molecular Weight |
407.927
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| Canonical SMILES |
CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H22ClN5O2S/c1-11-15(10-23(4)5)12(2)24-18(21-11)16(17(20-3)22-24)27(25,26)14-8-6-7-13(19)9-14/h6-9H,10H2,1-5H3,(H,20,22)
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| InChIKey |
AQJIPWNVOHSUOW-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