General Information of the Compound
| Compound ID |
CP0537740
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| Compound Name |
3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C30H27FN6O
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| Molecular Weight |
506.585
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| Canonical SMILES |
COc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2C)-c1ccncc1
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| InChI |
InChI=1S/C30H27FN6O/c1-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(15-21)38-2)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24H,16-18H2,1-2H3/t23-,24-/m0/s1
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| InChIKey |
SRWHVBZLJOECLF-ZEQRLZLVSA-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