General Information of the Compound
| Compound ID |
CP0507654
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| Compound Name |
(S)-2-((4R,5R)-5-(benzo[d][1,3]dioxol-5-ylmethylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C29H26Cl2N2O9
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| Molecular Weight |
617.438
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H26Cl2N2O9/c30-20-2-1-3-21(31)19(20)13-38-18-7-4-16(5-8-18)10-22(29(36)37)33-28(35)26-25(41-15-42-26)27(34)32-12-17-6-9-23-24(11-17)40-14-39-23/h1-9,11,22,25-26H,10,12-15H2,(H,32,34)(H,33,35)(H,36,37)/t22-,25+,26+/m0/s1
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| InChIKey |
JTASSQLBLFQSDP-HDYLNDSGSA-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