General Information of the Compound
| Compound ID |
CP0420223
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| Compound Name |
2-[[1-[2-(benzimidazol-1-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]acetic acid
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| Structure |
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| Formula |
C23H23ClN4O4
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| Molecular Weight |
454.914
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| Canonical SMILES |
CC1(CCN1C(=O)Cn1cnc2ccccc12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H23ClN4O4/c1-23(22(32)26(14-21(30)31)12-16-6-8-17(24)9-7-16)10-11-28(23)20(29)13-27-15-25-18-4-2-3-5-19(18)27/h2-9,15H,10-14H2,1H3,(H,30,31)
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| InChIKey |
DAKNKXBCXSIKLC-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