General Information of the Compound
| Compound ID |
CP0507653
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| Compound Name |
(S)-2-((4R,5R)-5-(cyclohexylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C27H30Cl2N2O7
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| Molecular Weight |
565.45
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C27H30Cl2N2O7/c28-20-7-4-8-21(29)19(20)14-36-18-11-9-16(10-12-18)13-22(27(34)35)31-26(33)24-23(37-15-38-24)25(32)30-17-5-2-1-3-6-17/h4,7-12,17,22-24H,1-3,5-6,13-15H2,(H,30,32)(H,31,33)(H,34,35)/t22-,23+,24+/m0/s1
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| InChIKey |
WCKOXEMXGOBKPL-RBZQAINGSA-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