General Information of the Compound
| Compound ID |
CP0487785
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| Compound Name |
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-1-[2-(3-thiophen-3-ylphenyl)acetyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C25H25ClN2O2S
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| Molecular Weight |
453.007
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cccc(c1)-c1ccsc1
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| InChI |
InChI=1S/C25H25ClN2O2S/c1-25(24(30)27(2)16-18-6-8-22(26)9-7-18)11-12-28(25)23(29)15-19-4-3-5-20(14-19)21-10-13-31-17-21/h3-10,13-14,17H,11-12,15-16H2,1-2H3
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| InChIKey |
BIJJHCROKDEVOL-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