General Information of the Compound
| Compound ID |
CP0481086
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| Compound Name |
US9340500, I-123
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| Structure |
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| Formula |
C26H37F3N4O
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| Molecular Weight |
478.603
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| Canonical SMILES |
Cc1c(cc(n1CC(C)(C)CN1CCNCC1)C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H37F3N4O/c1-18-21(23(34)31-20-9-7-8-19(14-20)26(27,28)29)15-22(24(2,3)4)33(18)17-25(5,6)16-32-12-10-30-11-13-32/h7-9,14-15,30H,10-13,16-17H2,1-6H3,(H,31,34)
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| InChIKey |
BJTCMWHIXBIYQG-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