General Information of the Compound
| Compound ID |
CP0526902
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2-(trifluoromethyl)phenylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C28H23Cl2F3N2O7
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| Molecular Weight |
627.399
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C28H23Cl2F3N2O7/c29-19-5-3-6-20(30)17(19)13-40-16-10-8-15(9-11-16)12-22(27(38)39)35-26(37)24-23(41-14-42-24)25(36)34-21-7-2-1-4-18(21)28(31,32)33/h1-11,22-24H,12-14H2,(H,34,36)(H,35,37)(H,38,39)/t22-,23+,24+/m0/s1
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| InChIKey |
ZPNLLELWSXAWRB-RBZQAINGSA-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