General Information of the Compound
| Compound ID |
CP0064783
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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-[[4-[1-[7-(hydroxyamino)-7-oxoheptyl]triazol-4-yl]phenyl]methyl]carbamate
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| Structure |
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| Formula |
C42H63N5O7Si
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| Molecular Weight |
778.08
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[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/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
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| InChIKey |
UYGBNWBNXHNKCQ-JKZGQAOVSA-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