General Information of the Compound
| Compound ID |
CP0108019
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| Compound Name |
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] N-[7-(hydroxyamino)-7-oxoheptyl]carbamate
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| Structure |
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| Formula |
C33H56N2O7Si
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| Molecular Weight |
620.904
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1
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| InChI |
InChI=1S/C33H56N2O7Si/c1-22-18-24-14-13-23(2)27(16-15-25-20-26(21-30(37)40-25)42-43(6,7)33(3,4)5)31(24)28(19-22)41-32(38)34-17-11-9-8-10-12-29(36)35-39/h13-14,18,22-23,25-28,31,39H,8-12,15-17,19-21H2,1-7H3,(H,34,38)(H,35,36)/t22-,23-,25+,26+,27-,28-,31-/m0/s1
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| InChIKey |
GEYMFTUKZLBUPW-YFRHZCBQSA-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