General Information of the Compound
| Compound ID |
CP0428868
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| Compound Name |
1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methyl-N-(3-sulfamoylpropyl)azetidine-2-carboxamide
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| Structure |
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| Formula |
C25H28ClN3O4S2
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| Molecular Weight |
534.103
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCS(N)(=O)=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H28ClN3O4S2/c1-25(11-13-29(25)23(30)15-19-17-34-22-6-3-2-5-21(19)22)24(31)28(12-4-14-35(27,32)33)16-18-7-9-20(26)10-8-18/h2-3,5-10,17H,4,11-16H2,1H3,(H2,27,32,33)
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| InChIKey |
LSBMNXSDPKXNQH-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