General Information of the Compound
| Compound ID |
CP0868998
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| Compound Name |
6-(4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Structure |
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| Formula |
C32H26N6O2
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| Molecular Weight |
526.6
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| Canonical SMILES |
CN1CCOc2ccc(-c3c(Nc4ccccn4)[nH]c4c(-c5ccccc5)c(-c5ccccc5)nn4c3=O)cc21
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| InChI |
InChI=1S/C32H26N6O2/c1-37-18-19-40-25-16-15-23(20-24(25)37)28-30(34-26-14-8-9-17-33-26)35-31-27(21-10-4-2-5-11-21)29(36-38(31)32(28)39)22-12-6-3-7-13-22/h2-17,20,35H,18-19H2,1H3,(H,33,34)
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| InChIKey |
KWTGYIWJRLTUIH-UHFFFAOYSA-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