General Information of the Compound
| Compound ID |
CP0448122
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| Compound Name |
7-(3-methoxyanilino)-2-methylsulfonyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C18H21N5O4S
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| Molecular Weight |
403.464
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| Canonical SMILES |
COc1cccc(Nc2c(cnc3c(C(C)C)c(nn23)S(C)(=O)=O)C(N)=O)c1
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| InChI |
InChI=1S/C18H21N5O4S/c1-10(2)14-17-20-9-13(15(19)24)16(23(17)22-18(14)28(4,25)26)21-11-6-5-7-12(8-11)27-3/h5-10,21H,1-4H3,(H2,19,24)
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| InChIKey |
GYKIIBHKVXZXBY-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