General Information of the Compound
| Compound ID |
CP0113099
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| Compound Name |
US9115116, 6a
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| Structure |
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| Formula |
C34H47NO5Si
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| Molecular Weight |
577.838
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(=O)Nc2ccc(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/C34H47NO5Si/c1-9-24-11-14-26(15-12-24)35-33(37)39-30-19-22(2)18-25-13-10-23(3)29(32(25)30)17-16-27-20-28(21-31(36)38-27)40-41(7,8)34(4,5)6/h1,10-15,18,22-23,27-30,32H,16-17,19-21H2,2-8H3,(H,35,37)/t22-,23-,27+,28+,29-,30-,32-/m0/s1
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| InChIKey |
HWWVAOJWOSZHRO-FIBNWJQGSA-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