General Information of the Compound
| Compound ID |
CP0207779
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| Compound Name |
[(2R)-5-chloro-7-[2-(hydroxymethyl)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 |
C21H20ClN3O3S
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| Molecular Weight |
429.929
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| Canonical SMILES |
OCc1cc2nccc(-c3cc(Cl)cc4C[C@@H](Oc34)C(=O)N3CCNCC3)c2s1
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| InChI |
InChI=1S/C21H20ClN3O3S/c22-13-7-12-8-18(21(27)25-5-3-23-4-6-25)28-19(12)16(9-13)15-1-2-24-17-10-14(11-26)29-20(15)17/h1-2,7,9-10,18,23,26H,3-6,8,11H2/t18-/m1/s1
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| InChIKey |
YCGQVRKPSRARFT-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