General Information of the Compound
| Compound ID |
CP0551021
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| Compound Name |
US9029360, 4
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| Synonyms |
PMID28067079-Compound-79
Pyrazolopyrimidine derivative 2
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| Structure |
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| Formula |
C16H16BrN5OS
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| Molecular Weight |
406.309
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| Canonical SMILES |
CCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
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| InChI |
InChI=1S/C16H16BrN5OS/c1-2-15-19-11-3-5-21(6-4-13(11)24-15)16(23)12-7-14-18-8-10(17)9-22(14)20-12/h7-9H,2-6H2,1H3
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| InChIKey |
OEYKQCOFIDDHKA-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
Clinical Information about the Compound