General Information of the Compound
| Compound ID |
CP0530523
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| Compound Name |
6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C13H16ClN5
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| Molecular Weight |
277.759
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| Canonical SMILES |
Cc1c(Cl)nc(nc1NCc1cnn(C)c1)C1CC1
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| InChI |
InChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18)
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| InChIKey |
IEEHRLCNQKDBRL-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