General Information of the Compound
| Compound ID |
CP0207780
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| Compound Name |
1-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C24H24ClN3O3S
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| Molecular Weight |
469.994
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| Canonical SMILES |
Cc1cc(Cl)cc(c1O[C@H]1CCCNC1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
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| InChI |
InChI=1S/C24H24ClN3O3S/c1-14-9-15(25)10-19(23(14)31-16-3-2-7-26-12-16)18-6-8-27-20-11-17(32-24(18)20)13-28-21(29)4-5-22(28)30/h6,8-11,16,26H,2-5,7,12-13H2,1H3/t16-/m0/s1
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| InChIKey |
PYEXJMBGOSOZHC-INIZCTEOSA-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