General Information of the Compound
| Compound ID |
CP0339425
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| Compound Name |
[(2R)-5-chloro-7-(2-methylthieno[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 |
C21H20ClN3O2S
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| Molecular Weight |
413.93
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| Canonical SMILES |
Cc1cc2nccc(-c3cc(Cl)cc4C[C@@H](Oc34)C(=O)N3CCNCC3)c2s1
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| InChI |
InChI=1S/C21H20ClN3O2S/c1-12-8-17-20(28-12)15(2-3-24-17)16-11-14(22)9-13-10-18(27-19(13)16)21(26)25-6-4-23-5-7-25/h2-3,8-9,11,18,23H,4-7,10H2,1H3/t18-/m1/s1
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| InChIKey |
KJLOQQLOFNVZKL-GOSISDBHSA-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