General Information of the Compound
| Compound ID |
CP0398437
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| Compound Name |
N-(3-amino-3-oxopropyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCC(N)=O)Cc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C25H30ClN3O3/c1-17-12-18(2)14-20(13-17)15-23(31)29-11-9-25(29,3)24(32)28(10-8-22(27)30)16-19-4-6-21(26)7-5-19/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,27,30)
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| InChIKey |
HWZHNAOPOQCYSL-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