General Information of the Compound
| Compound ID |
CP0548898
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| Compound Name |
N'-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]thiophene-2-carbohydrazide
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| Structure |
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| Formula |
C19H23ClN4O2S
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| Molecular Weight |
406.939
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| Canonical SMILES |
Clc1ccc(CN2CCCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1
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| InChI |
InChI=1S/C19H23ClN4O2S/c20-16-6-4-15(5-7-16)13-23-8-2-9-24(11-10-23)14-18(25)21-22-19(26)17-3-1-12-27-17/h1,3-7,12H,2,8-11,13-14H2,(H,21,25)(H,22,26)
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| InChIKey |
UATUEQNLFZQEJF-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