General Information of the Compound
| Compound ID |
CP0493062
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| Compound Name |
(S)-2-((4R,5R)-5-(butylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H28Cl2N2O7
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| Molecular Weight |
539.412
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| Canonical SMILES |
CCCCNC(=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/C25H28Cl2N2O7/c1-2-3-11-28-23(30)21-22(36-14-35-21)24(31)29-20(25(32)33)12-15-7-9-16(10-8-15)34-13-17-18(26)5-4-6-19(17)27/h4-10,20-22H,2-3,11-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)/t20-,21+,22+/m0/s1
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| InChIKey |
YZNXZHUMHUPTEN-BHDDXSALSA-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