General Information of the Compound
| Compound ID |
CP0511084
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| Compound Name |
2-(4-chlorophenyl)-5-[4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-methoxyphenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C22H21ClN4O4
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| Molecular Weight |
440.887
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| Canonical SMILES |
COc1cc(ccc1N1C[C@H](O)[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H21ClN4O4/c1-31-20-8-16(6-7-17(20)25-11-18(28)19(29)12-25)26-9-13-10-27(24-21(13)22(26)30)15-4-2-14(23)3-5-15/h2-8,10,18-19,28-29H,9,11-12H2,1H3/t18-,19-/m0/s1
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| InChIKey |
OGJOYPFWXIZCLU-OALUTQOASA-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