General Information of the Compound
| Compound ID |
CP0501633
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(heptylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C28H34Cl2N2O7
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| Molecular Weight |
581.493
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| Canonical SMILES |
CCCCCCCNC(=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/C28H34Cl2N2O7/c1-2-3-4-5-6-14-31-26(33)24-25(39-17-38-24)27(34)32-23(28(35)36)15-18-10-12-19(13-11-18)37-16-20-21(29)8-7-9-22(20)30/h7-13,23-25H,2-6,14-17H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t23-,24+,25+/m0/s1
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| InChIKey |
FCHDFPPFTYYJRH-ISJGIBHGSA-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