General Information of the Compound
| Compound ID |
CP0960549
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| Compound Name |
3-(1-oxo-5-(1-((3-(pyridin-2-yl)-1H-pyrazol-5-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cc(-c6ccccn6)n[nH]5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H28N6O3/c34-25-7-6-24(26(35)29-25)33-15-19-13-18(4-5-21(19)27(33)36)17-8-11-32(12-9-17)16-20-14-23(31-30-20)22-3-1-2-10-28-22/h1-5,10,13-14,17,24H,6-9,11-12,15-16H2,(H,30,31)(H,29,34,35)
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| InChIKey |
OFSKHJWCGFIJCE-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