General Information of the Compound
| Compound ID |
CP0254041
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| Compound Name |
4-Methyl-thiophene-2-carboxylic acid N''-{2-[4-(4-chloro-benzyl)-[1,4]diazepan-1-yl]-acetyl}-hydrazide
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| Structure |
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| Formula |
C20H25ClN4O2S
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| Molecular Weight |
420.966
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| Canonical SMILES |
Cc1csc(c1)C(=O)NNC(=O)CN1CCCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H25ClN4O2S/c1-15-11-18(28-14-15)20(27)23-22-19(26)13-25-8-2-7-24(9-10-25)12-16-3-5-17(21)6-4-16/h3-6,11,14H,2,7-10,12-13H2,1H3,(H,22,26)(H,23,27)
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| InChIKey |
WVLXVIZBRPTUKG-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