General Information of the Compound
| Compound ID |
CP0892303
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| Compound Name |
[(1S,2R)-1-Benzyl-2-hydroxy-2-((13S,16R)-13-isopropyl-12,15-dioxo-2,5,8-trioxa-11,14,17-triaza-bicyclo[17.2.2]tricosa-1(22),19(23),20-trien-16-yl)-ethyl]-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
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| Structure |
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| Formula |
C34H48N4O9
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| Molecular Weight |
656.777
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)NCc2ccc(cc2)OCCOCCOCCNC1=O
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| InChI |
InChI=1S/C34H48N4O9/c1-23(2)29-32(40)35-13-15-43-16-17-44-18-19-46-26-10-8-25(9-11-26)21-36-30(33(41)38-29)31(39)28(20-24-6-4-3-5-7-24)37-34(42)47-27-12-14-45-22-27/h3-11,23,27-31,36,39H,12-22H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+,31+/m0/s1
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| InChIKey |
PWEJSYALDYQGFY-DYFQPDDQSA-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