General Information of the Compound
| Compound ID |
CP0441838
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| Compound Name |
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(pentan-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C22H20Cl2N4O
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| Molecular Weight |
427.335
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| Canonical SMILES |
CCC(CC)n1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H20Cl2N4O/c1-3-16(4-2)27-13-25-19-20(22(27)29)26-28(18-8-6-5-7-17(18)24)21(19)14-9-11-15(23)12-10-14/h5-13,16H,3-4H2,1-2H3
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| InChIKey |
QLIMCNSKOVRYLW-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