General Information of the Compound
| Compound ID |
CP0450859
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| Compound Name |
3-(2-chloro-4-methoxyphenyl)-2,5,6-trimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H27ClN4O
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| Molecular Weight |
386.927
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| Canonical SMILES |
CCC(CC)Nc1c(C)c(C)nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C21H27ClN4O/c1-7-15(8-2)24-20-12(3)13(4)23-21-19(14(5)25-26(20)21)17-10-9-16(27-6)11-18(17)22/h9-11,15,24H,7-8H2,1-6H3
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| InChIKey |
PXSMAGHDBXPHEK-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