General Information of the Compound
| Compound ID |
CP0515667
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| Compound Name |
(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-methanone
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| Structure |
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| Formula |
C13H17N3OS
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| Molecular Weight |
263.366
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2scc(C)c2[nH]1
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| InChI |
InChI=1S/C13H17N3OS/c1-9-8-18-11-7-10(14-12(9)11)13(17)16-5-3-15(2)4-6-16/h7-8,14H,3-6H2,1-2H3
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| InChIKey |
NJQMKHLCYSDMSY-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