General Information of the Compound
| Compound ID |
CP0423502
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| Compound Name |
ethyl 3-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrazole-1-carboxylate
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| Structure |
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| Formula |
C31H26N6O4
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| Molecular Weight |
546.587
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| Canonical SMILES |
CCOC(=O)n1ccc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc(OC)cc2)-c2ccccc2)-c2ccccc2)n1
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| InChI |
InChI=1S/C31H26N6O4/c1-3-41-31(39)36-19-18-24(34-36)32-28-26(21-14-16-23(40-2)17-15-21)30(38)37-29(33-28)25(20-10-6-4-7-11-20)27(35-37)22-12-8-5-9-13-22/h4-19,33H,3H2,1-2H3,(H,32,34)
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| InChIKey |
JVLMKJFTVYMJIA-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