General Information of the Compound
| Compound ID |
CP0510339
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| Compound Name |
(2-chloro-4H-thieno[3,2-b]pyrrol-5-yl)(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C12H14ClN3OS
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| Molecular Weight |
283.784
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2sc(Cl)cc2[nH]1
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| InChI |
InChI=1S/C12H14ClN3OS/c1-15-2-4-16(5-3-15)12(17)9-6-10-8(14-9)7-11(13)18-10/h6-7,14H,2-5H2,1H3
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| InChIKey |
RTKCXPXQTNXWNU-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