General Information of the Compound
| Compound ID |
CP0451538
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| Compound Name |
US9422293, 58B
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| Structure |
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| Formula |
C28H31F6N7
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| Molecular Weight |
579.593
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(NCCN3CCCCC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H31F6N7/c29-27(30,31)19-6-8-20(9-7-19)37-24-21-10-16-41(25-22(28(32,33)34)5-4-12-35-25)17-11-23(21)38-26(39-24)36-13-18-40-14-2-1-3-15-40/h4-9,12H,1-3,10-11,13-18H2,(H2,36,37,38,39)
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| InChIKey |
KAWLJCOVVJZFAO-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1