General Information of the Compound
| Compound ID |
CP0493708
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| Compound Name |
4-aminopyrazolylpyrimidine analogue, 10e
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| Structure |
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| Formula |
C17H16BrFN6
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| Molecular Weight |
403.259
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| Canonical SMILES |
Fc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1
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| InChI |
InChI=1S/C17H16BrFN6/c18-13-9-21-17(20-8-10-1-5-12(19)6-2-10)23-16(13)22-15-7-14(24-25-15)11-3-4-11/h1-2,5-7,9,11H,3-4,8H2,(H3,20,21,22,23,24,25)
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| InChIKey |
SDNIEOMSMZTJNX-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