General Information of the Compound
| Compound ID |
CP0339413
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| Compound Name |
[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
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| Structure |
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| Formula |
C20H18ClN3O2S
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| Molecular Weight |
399.903
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| Canonical SMILES |
Clc1cc2C[C@@H](Oc2c(c1)-c1ccnc2ccsc12)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C20H18ClN3O2S/c21-13-9-12-10-17(20(25)24-6-4-22-5-7-24)26-18(12)15(11-13)14-1-3-23-16-2-8-27-19(14)16/h1-3,8-9,11,17,22H,4-7,10H2/t17-/m1/s1
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| InChIKey |
SSIWAASKJNDWDE-QGZVFWFLSA-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