General Information of the Compound
| Compound ID |
CP0947333
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| Compound Name |
US9340500, I-089
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| Structure |
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| Formula |
C28H29F3N3O+
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| Molecular Weight |
480.554
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2ccc3c(c2)C=[N+](c2ccccc2)C3CCCN2CCOCC2)c1
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| InChI |
InChI=1S/C28H29F3N3O/c29-28(30,31)22-6-4-7-23(19-22)32-24-11-12-26-21(18-24)20-34(25-8-2-1-3-9-25)27(26)10-5-13-33-14-16-35-17-15-33/h1-4,6-9,11-12,18-20,27,32H,5,10,13-17H2/q+1
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| InChIKey |
SFAUUQNVFOAWJG-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