General Information of the Compound
| Compound ID |
CP0489473
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| Compound Name |
(S)-2-((4R,5R)-5-(cyclopropylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C24H24Cl2N2O7
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| Molecular Weight |
523.369
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NC1CC1
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| InChI |
InChI=1S/C24H24Cl2N2O7/c25-17-2-1-3-18(26)16(17)11-33-15-8-4-13(5-9-15)10-19(24(31)32)28-23(30)21-20(34-12-35-21)22(29)27-14-6-7-14/h1-5,8-9,14,19-21H,6-7,10-12H2,(H,27,29)(H,28,30)(H,31,32)/t19-,20+,21+/m0/s1
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| InChIKey |
WFRWRDPACMNSEM-PWRODBHTSA-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