General Information of the Compound
| Compound ID |
CP0414669
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methyl-N-[2-(methylcarbamoylamino)ethyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C26H33ClN4O3
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| Molecular Weight |
485.028
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| Canonical SMILES |
CNC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C26H33ClN4O3/c1-18-13-19(2)15-21(14-18)16-23(32)31-11-9-26(31,3)24(33)30(12-10-29-25(34)28-4)17-20-5-7-22(27)8-6-20/h5-8,13-15H,9-12,16-17H2,1-4H3,(H2,28,29,34)
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| InChIKey |
QFUBBWPMSYEOQM-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