General Information of the Compound
| Compound ID |
CP0490444
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| Compound Name |
triethyl-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]silane
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| Formula |
C18H20F3NO3Si
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| Molecular Weight |
383.442
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| Canonical SMILES |
CC[Si](CC)(CC)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3NO3Si/c1-4-26(5-2,6-3)10-9-13-7-8-16-14(11-13)12-15(22(23)24)17(25-16)18(19,20)21/h7-8,11-12,17H,4-6H2,1-3H3
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| InChIKey |
VQYCHPJMJSYQDC-UHFFFAOYSA-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