General Information of the Compound
| Compound ID |
CP0468335
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| Compound Name |
4-aminopyrazolylpyrimidine analogue, 10b
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| Structure |
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| Formula |
C18H19BrN6O
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| Molecular Weight |
415.295
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| Canonical SMILES |
COc1cccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)c1
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| InChI |
InChI=1S/C18H19BrN6O/c1-26-13-4-2-3-11(7-13)9-20-18-21-10-14(19)17(23-18)22-16-8-15(24-25-16)12-5-6-12/h2-4,7-8,10,12H,5-6,9H2,1H3,(H3,20,21,22,23,24,25)
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| InChIKey |
XSRNXUBVNYNCJC-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