General Information of the Compound
| Compound ID |
CP0517546
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| Compound Name |
4-aminopyrazolylpyrimidine analogue, 10c
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| Structure |
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| Formula |
C17H16BrClN6
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| Molecular Weight |
419.714
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| Canonical SMILES |
Clc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1
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| InChI |
InChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25)
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| InChIKey |
PGFQSOQKZDCUIL-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