General Information of the Compound
| Compound ID |
CP0968291
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| Compound Name |
6-(4-aminoquinazolin-6-yl)-5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H20N6O
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| Molecular Weight |
444.498
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| Canonical SMILES |
Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncnc(N)c2c1
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| InChI |
InChI=1S/C27H20N6O/c1-16-22(19-12-13-21-20(14-19)25(28)30-15-29-21)27(34)33-26(31-16)23(17-8-4-2-5-9-17)24(32-33)18-10-6-3-7-11-18/h2-15,31H,1H3,(H2,28,29,30)
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| InChIKey |
MQSMWBKMBLSLSL-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