General Information of the Compound
| Compound ID |
CP0969944
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| Compound Name |
3-(5-(1-((1-isopropyl-1H-pyrazol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
CC(C)n1nccc1CN1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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| InChI |
InChI=1S/C25H31N5O3/c1-16(2)30-20(7-10-26-30)15-28-11-8-17(9-12-28)18-3-4-21-19(13-18)14-29(25(21)33)22-5-6-23(31)27-24(22)32/h3-4,7,10,13,16-17,22H,5-6,8-9,11-12,14-15H2,1-2H3,(H,27,31,32)
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| InChIKey |
GLHKOKIPKBRHKI-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