General Information of the Compound
| Compound ID |
CP0357846
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| Compound Name |
1-[[7-[5-chloro-3-methyl-2-[(3S,4R)-3-methylpiperidin-4-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C25H26ClN3O3S
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| Molecular Weight |
484.021
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| Canonical SMILES |
C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
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| InChI |
InChI=1S/C25H26ClN3O3S/c1-14-9-16(26)10-19(24(14)32-21-6-7-27-12-15(21)2)18-5-8-28-20-11-17(33-25(18)20)13-29-22(30)3-4-23(29)31/h5,8-11,15,21,27H,3-4,6-7,12-13H2,1-2H3/t15-,21+/m0/s1
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| InChIKey |
TZRCZTLMNKIMSY-YCRPNKLZSA-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