General Information of the Compound
| Compound ID |
CP0476047
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| Compound Name |
Butyl-[3-(2-chloro-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-amine
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| Structure |
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| Formula |
C20H25ClN4
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| Molecular Weight |
356.901
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| Canonical SMILES |
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H25ClN4/c1-5-7-12-24(6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-10-8-9-11-17(16)21/h8-11,13H,5-7,12H2,1-4H3
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| InChIKey |
YMEQRXGZQUEWEB-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