General Information of the Compound
| Compound ID |
CP0534670
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(thiophen-2-ylmethylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C26H24Cl2N2O7S
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| Molecular Weight |
579.458
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCc1cccs1
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| InChI |
InChI=1S/C26H24Cl2N2O7S/c27-19-4-1-5-20(28)18(19)13-35-16-8-6-15(7-9-16)11-21(26(33)34)30-25(32)23-22(36-14-37-23)24(31)29-12-17-3-2-10-38-17/h1-10,21-23H,11-14H2,(H,29,31)(H,30,32)(H,33,34)/t21-,22+,23+/m0/s1
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| InChIKey |
QISZKMMCJDRPAF-YTFSRNRJSA-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