General Information of the Compound
| Compound ID |
CP0485281
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| Compound Name |
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
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| Structure |
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| Formula |
C28H23FN6O
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| Molecular Weight |
478.531
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| Canonical SMILES |
Oc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
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| InChI |
InChI=1S/C28H23FN6O/c29-23-6-3-19(13-25(23)36)26-27(18-7-10-30-11-8-18)33-35-24(9-12-31-28(26)35)17-1-4-21(5-2-17)34-16-20-14-22(34)15-32-20/h1-13,20,22,32,36H,14-16H2/t20-,22-/m0/s1
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| InChIKey |
KRSYZLFRSXTAHG-UNMCSNQZSA-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