General Information of the Compound
| Compound ID |
CP0009812
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| Compound Name |
4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperidin-4-yl)-pyridin-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C20H24ClN7
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| Molecular Weight |
397.914
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| Canonical SMILES |
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
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| InChI |
InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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| InChIKey |
KGEGZSPPABUDIC-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