General Information of the Compound
| Compound ID |
CP0158973
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| Compound Name |
US9045524, 101
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| Structure |
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| Formula |
C33H42N4O11S
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| Molecular Weight |
702.783
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| Canonical SMILES |
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C33H42N4O11S/c1-21(2)28(31(41)34-24(18-26(38)46-3)16-17-49(5,44)45)36-32(42)29(23-14-10-7-11-15-23)37-30(40)25(19-27(39)47-4)35-33(43)48-20-22-12-8-6-9-13-22/h6-17,21,24-25,28-29H,18-20H2,1-5H3,(H,34,41)(H,35,43)(H,36,42)(H,37,40)/b17-16+/t24-,25+,28+,29+/m1/s1
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| InChIKey |
ZAVOUVXKATZEMZ-IJRWZYHLSA-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