General Information of the Compound
| Compound ID |
CP0951106
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| Compound Name |
3-(5-(1-((3,4-dihydro-2H-benzo[b][1,4]thiazin-6-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H30N4O3S
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| Molecular Weight |
490.629
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6c(c5)NCCS6)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H30N4O3S/c32-25-6-4-23(26(33)29-25)31-16-20-14-19(2-3-21(20)27(31)34)18-7-10-30(11-8-18)15-17-1-5-24-22(13-17)28-9-12-35-24/h1-3,5,13-14,18,23,28H,4,6-12,15-16H2,(H,29,32,33)
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| InChIKey |
BFVQEMDCEGSJLY-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