General Information of the Compound
| Compound ID |
CP0562308
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| Compound Name |
N-(4-chloro-3-pyridin-2-ylphenyl)-2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]acetamide
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| Structure |
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| Formula |
C28H33ClN2O5
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| Molecular Weight |
513.034
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| Canonical SMILES |
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
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| InChI |
InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1
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| InChIKey |
FYBFXVILVGDINR-WSGLMESZSA-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