General Information of the Compound
| Compound ID |
CP0483183
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| Compound Name |
ethyl 5-[(7-oxo-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-5-yl)amino]-1,3,4-oxadiazole-2-carboxylate
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| Structure |
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| Formula |
C32H23N7O4
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| Molecular Weight |
569.581
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| Canonical SMILES |
CCOC(=O)c1nnc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc3ncccc3c2)-c2ccccc2)-c2ccccc2)o1
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| InChI |
InChI=1S/C32H23N7O4/c1-2-42-31(41)29-36-37-32(43-29)35-27-25(22-15-16-23-21(18-22)14-9-17-33-23)30(40)39-28(34-27)24(19-10-5-3-6-11-19)26(38-39)20-12-7-4-8-13-20/h3-18,34H,2H2,1H3,(H,35,37)
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| InChIKey |
PSMGEEWNCDMHFQ-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