General Information of the Compound
| Compound ID |
CP0116048
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| Compound Name |
US9115116, 6b
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| Structure |
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| Formula |
C35H49NO5Si
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| Molecular Weight |
591.865
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[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/C35H49NO5Si/c1-9-25-11-13-26(14-12-25)22-36-34(38)40-31-19-23(2)18-27-15-10-24(3)30(33(27)31)17-16-28-20-29(21-32(37)39-28)41-42(7,8)35(4,5)6/h1,10-15,18,23-24,28-31,33H,16-17,19-22H2,2-8H3,(H,36,38)/t23-,24-,28+,29+,30-,31-,33-/m0/s1
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| InChIKey |
YAHJAESFRLNRDH-RZSQEPJQSA-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