General Information of the Compound
| Compound ID |
CP0398438
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-N-[2-(methanesulfonamido)ethyl]-2-methylazetidine-2-carboxamide
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| Structure |
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| Formula |
C25H32ClN3O4S
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| Molecular Weight |
506.068
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCNS(C)(=O)=O)Cc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C25H32ClN3O4S/c1-18-13-19(2)15-21(14-18)16-23(30)29-11-9-25(29,3)24(31)28(12-10-27-34(4,32)33)17-20-5-7-22(26)8-6-20/h5-8,13-15,27H,9-12,16-17H2,1-4H3
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| InChIKey |
YANIIXBBPMCMCO-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