General Information of the Compound
| Compound ID |
CP0522745
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(morpholine-4-carbonyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C25H26Cl2N2O8
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| Molecular Weight |
553.395
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H26Cl2N2O8/c26-18-2-1-3-19(27)17(18)13-35-16-6-4-15(5-7-16)12-20(25(32)33)28-23(30)21-22(37-14-36-21)24(31)29-8-10-34-11-9-29/h1-7,20-22H,8-14H2,(H,28,30)(H,32,33)/t20-,21+,22+/m0/s1
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| InChIKey |
OTWJLJYWUZTQLW-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