General Information of the Compound
| Compound ID |
CP0507560
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2,6-difluorophenylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C27H22Cl2F2N2O7
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| Molecular Weight |
595.382
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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(F)cccc1F
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| InChI |
InChI=1S/C27H22Cl2F2N2O7/c28-17-3-1-4-18(29)16(17)12-38-15-9-7-14(8-10-15)11-21(27(36)37)32-25(34)23-24(40-13-39-23)26(35)33-22-19(30)5-2-6-20(22)31/h1-10,21,23-24H,11-13H2,(H,32,34)(H,33,35)(H,36,37)/t21-,23+,24+/m0/s1
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| InChIKey |
DYQOZATVQQMJJY-QPTUXGOLSA-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