General Information of the Compound
| Compound ID |
CP0954176
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| Compound Name |
5-(hydroxymethyl)-4-methyl-2,3-diphenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Structure |
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| Formula |
C29H22N4O2
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| Molecular Weight |
458.521
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| Canonical SMILES |
Cn1c(CO)c(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c12
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| InChI |
InChI=1S/C29H22N4O2/c1-32-24(18-34)25(22-14-15-23-21(17-22)13-8-16-30-23)29(35)33-28(32)26(19-9-4-2-5-10-19)27(31-33)20-11-6-3-7-12-20/h2-17,34H,18H2,1H3
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| InChIKey |
XFAVHBWFOHFIEH-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