General Information of the Compound
| Compound ID |
CP0513600
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(ethylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C23H24Cl2N2O7
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| Molecular Weight |
511.358
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| Canonical SMILES |
CCNC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C23H24Cl2N2O7/c1-2-26-21(28)19-20(34-12-33-19)22(29)27-18(23(30)31)10-13-6-8-14(9-7-13)32-11-15-16(24)4-3-5-17(15)25/h3-9,18-20H,2,10-12H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t18-,19+,20+/m0/s1
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| InChIKey |
ZPHKDDILSBIJSX-XUVXKRRUSA-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