General Information of the Compound
| Compound ID |
CP0374018
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| Compound Name |
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C29H25FN6O
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| Molecular Weight |
492.558
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| Canonical SMILES |
COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
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| InChI |
InChI=1S/C29H25FN6O/c1-37-23-4-2-3-19(13-23)27-28(18-7-10-31-11-8-18)34-36-26(9-12-32-29(27)36)24-6-5-21(15-25(24)30)35-17-20-14-22(35)16-33-20/h2-13,15,20,22,33H,14,16-17H2,1H3/t20-,22-/m0/s1
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| InChIKey |
TVWBHTHGDNQIBV-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