General Information of the Compound
| Compound ID |
CP0471461
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| Compound Name |
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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| Structure |
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| Formula |
C28H24N6O
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| Molecular Weight |
460.541
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| Canonical SMILES |
Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
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| InChI |
InChI=1S/C28H24N6O/c35-24-3-1-2-20(14-24)26-27(19-8-11-29-12-9-19)32-34-25(10-13-30-28(26)34)18-4-6-22(7-5-18)33-17-21-15-23(33)16-31-21/h1-14,21,23,31,35H,15-17H2/t21-,23-/m0/s1
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| InChIKey |
ISWMSPMQTFQNOK-GMAHTHKFSA-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