General Information of the Compound
| Compound ID |
CP0567162
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| Compound Name |
2-(4-chlorophenyl)-5-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C22H22ClN3O4
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| Molecular Weight |
427.888
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| Canonical SMILES |
COc1cc(ccc1OCC(C)(C)O)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClN3O4/c1-22(2,28)13-30-18-9-8-17(10-19(18)29-3)25-11-14-12-26(24-20(14)21(25)27)16-6-4-15(23)5-7-16/h4-10,12,28H,11,13H2,1-3H3
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| InChIKey |
VKDHBHRISIEVKC-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