General Information of the Compound
| Compound ID |
CP0471462
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| Compound Name |
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C29H26N6O
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| Molecular Weight |
474.568
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| Canonical SMILES |
COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
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| InChI |
InChI=1S/C29H26N6O/c1-36-25-4-2-3-21(15-25)27-28(20-9-12-30-13-10-20)33-35-26(11-14-31-29(27)35)19-5-7-23(8-6-19)34-18-22-16-24(34)17-32-22/h2-15,22,24,32H,16-18H2,1H3/t22-,24-/m0/s1
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| InChIKey |
VJWBZZIGIQBWNR-UPVQGACJSA-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