General Information of the Compound
| Compound ID |
CP0514868
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| Compound Name |
(S)-2-((4R,5R)-5-(benzo[d]thiazol-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C28H23Cl2N3O7S
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| Molecular Weight |
616.479
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C28H23Cl2N3O7S/c29-18-4-3-5-19(30)17(18)13-38-16-10-8-15(9-11-16)12-21(27(36)37)31-25(34)23-24(40-14-39-23)26(35)33-28-32-20-6-1-2-7-22(20)41-28/h1-11,21,23-24H,12-14H2,(H,31,34)(H,36,37)(H,32,33,35)/t21-,23+,24+/m0/s1
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| InChIKey |
NXXULCNLVLCQMW-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