General Information of the Compound
| Compound ID |
CP0417118
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C22H22Cl2N2O7
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| Molecular Weight |
497.331
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| Canonical SMILES |
CNC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C22H22Cl2N2O7/c1-25-20(27)18-19(33-11-32-18)21(28)26-17(22(29)30)9-12-5-7-13(8-6-12)31-10-14-15(23)3-2-4-16(14)24/h2-8,17-19H,9-11H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18+,19+/m0/s1
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| InChIKey |
VZWBMZSNAZAVJS-IPMKNSEASA-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