General Information of the Compound
| Compound ID |
CP0909741
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| Compound Name |
5-((1H-1,2,4-triazol-5-yl)methyl)-2,3-diphenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C30H21N7O
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| Molecular Weight |
495.546
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| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)c(Cc2ncn[nH]2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C30H21N7O/c38-30-26(22-13-14-23-21(16-22)12-7-15-31-23)24(17-25-32-18-33-35-25)34-29-27(19-8-3-1-4-9-19)28(36-37(29)30)20-10-5-2-6-11-20/h1-16,18,34H,17H2,(H,32,33,35)
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| InChIKey |
AUGLMSYPTUYVMS-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