General Information of the Compound
| Compound ID |
CP0526903
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(3,5-dichloropyridin-4-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C26H21Cl4N3O7
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| Molecular Weight |
629.28
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C26H21Cl4N3O7/c27-16-2-1-3-17(28)15(16)11-38-14-6-4-13(5-7-14)8-20(26(36)37)32-24(34)22-23(40-12-39-22)25(35)33-21-18(29)9-31-10-19(21)30/h1-7,9-10,20,22-23H,8,11-12H2,(H,32,34)(H,36,37)(H,31,33,35)/t20-,22+,23+/m0/s1
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| InChIKey |
OIQZAMZTLHTQQB-MDNUFGMLSA-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