General Information of the Compound
| Compound ID |
CP0513042
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| Compound Name |
4-[[1-[2-(1-benzofuran-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid
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| Structure |
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| Formula |
C26H27ClN2O5
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| Molecular Weight |
482.964
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C26H27ClN2O5/c1-26(11-13-29(26)23(30)15-19-17-34-22-9-3-2-8-21(19)22)25(33)28(12-5-10-24(31)32)16-18-6-4-7-20(27)14-18/h2-4,6-9,14,17H,5,10-13,15-16H2,1H3,(H,31,32)
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| InChIKey |
YAIIBBXAEOPPHI-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