General Information of the Compound
| Compound ID |
CP0413782
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| Compound Name |
2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C24H25ClN4O3
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| Molecular Weight |
452.942
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClN4O3/c1-31-22-14-20(8-9-21(22)32-13-12-27-10-2-3-11-27)28-15-17-16-29(26-23(17)24(28)30)19-6-4-18(25)5-7-19/h4-9,14,16H,2-3,10-13,15H2,1H3
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| InChIKey |
IOCZTJBQWUDXJG-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