General Information of the Compound
| Compound ID |
CP0950509
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| Compound Name |
3-(5-(1-(isoxazol-3-ylmethyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccon5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C22H24N4O4/c27-20-4-3-19(21(28)23-20)26-12-16-11-15(1-2-18(16)22(26)29)14-5-8-25(9-6-14)13-17-7-10-30-24-17/h1-2,7,10-11,14,19H,3-6,8-9,12-13H2,(H,23,27,28)
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| InChIKey |
DBLPRIFINUMBEQ-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