General Information of the Compound
| Compound ID |
CP0414667
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| Compound Name |
2-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]acetic acid
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| Structure |
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| Formula |
C23H22ClN3O5
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| Molecular Weight |
455.898
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1noc2ccccc12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H22ClN3O5/c1-23(22(31)26(14-21(29)30)13-15-6-8-16(24)9-7-15)10-11-27(23)20(28)12-18-17-4-2-3-5-19(17)32-25-18/h2-9H,10-14H2,1H3,(H,29,30)
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| InChIKey |
CXBWWDHJWPDCRK-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