General Information of the Compound
| Compound ID |
CP0398436
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| Compound Name |
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)-2-oxoethyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
CN(C)C(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C26H32ClN3O3/c1-18-12-19(2)14-21(13-18)15-23(31)30-11-10-26(30,3)25(33)29(17-24(32)28(4)5)16-20-6-8-22(27)9-7-20/h6-9,12-14H,10-11,15-17H2,1-5H3
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| InChIKey |
YVCKKYHKNUOKDB-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