General Information of the Compound
| Compound ID |
CP0428866
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| Compound Name |
N-(2-acetamidoethyl)-1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
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| Structure |
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| Formula |
C26H28ClN3O3S
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| Molecular Weight |
498.048
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| Canonical SMILES |
CC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
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| InChI |
InChI=1S/C26H28ClN3O3S/c1-18(31)28-12-14-29(16-19-7-9-21(27)10-8-19)25(33)26(2)11-13-30(26)24(32)15-20-17-34-23-6-4-3-5-22(20)23/h3-10,17H,11-16H2,1-2H3,(H,28,31)
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| InChIKey |
LGZNBHBKQBAGHZ-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