General Information of the Compound
| Compound ID |
CP0437636
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| Compound Name |
(2S,4E)-N-[(2,4-dichlorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methylidene]-5-oxo-1-thiophen-2-ylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H24Cl2N4O2S
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| Molecular Weight |
479.433
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| Canonical SMILES |
CN1CCN(CC1)\C=C1/C[C@H](N(C1=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H24Cl2N4O2S/c1-26-6-8-27(9-7-26)14-16-11-19(28(22(16)30)20-3-2-10-31-20)21(29)25-13-15-4-5-17(23)12-18(15)24/h2-5,10,12,14,19H,6-9,11,13H2,1H3,(H,25,29)/b16-14+/t19-/m0/s1
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| InChIKey |
POEFBHOJFFSBED-IDCODDLRSA-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