General Information of the Compound
| Compound ID |
CP0513038
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| Compound Name |
methyl 4-[(4-chlorophenyl)methyl-[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]amino]butanoate
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| Structure |
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| Formula |
C27H33ClN2O4
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| Molecular Weight |
485.024
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| Canonical SMILES |
COC(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C27H33ClN2O4/c1-19-14-20(2)16-22(15-19)17-24(31)30-13-11-27(30,3)26(33)29(12-5-6-25(32)34-4)18-21-7-9-23(28)10-8-21/h7-10,14-16H,5-6,11-13,17-18H2,1-4H3
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| InChIKey |
DKAAOUNPDWBHMQ-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