General Information of the Compound
| Compound ID |
CP0485649
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| Compound Name |
(2-chloro-3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C13H16ClN3OS
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| Molecular Weight |
297.811
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2sc(Cl)c(C)c2[nH]1
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| InChI |
InChI=1S/C13H16ClN3OS/c1-8-11-10(19-12(8)14)7-9(15-11)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3
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| InChIKey |
FHTHHGGIWNDYIW-UHFFFAOYSA-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