General Information of the Compound
| Compound ID |
CP0951103
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| Compound Name |
3-(5-(1-(benzo[d]thiazol-2-ylmethyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H26N4O3S
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| Molecular Weight |
474.586
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5nc6ccccc6s5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H26N4O3S/c31-23-8-7-21(25(32)28-23)30-14-18-13-17(5-6-19(18)26(30)33)16-9-11-29(12-10-16)15-24-27-20-3-1-2-4-22(20)34-24/h1-6,13,16,21H,7-12,14-15H2,(H,28,31,32)
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| InChIKey |
BCUAHBPXSNSQRT-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