General Information of the Compound
| Compound ID |
CP0444903
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| Compound Name |
US9422293, 310
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| Structure |
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| Formula |
C27H27F6N5O
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| Molecular Weight |
551.535
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| Canonical SMILES |
Cc1cc(ccc1Nc1nc(OC2CCCC2)nc2CCN(CCc12)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H27F6N5O/c1-16-15-17(26(28,29)30)8-9-21(16)35-23-19-10-13-38(24-20(27(31,32)33)7-4-12-34-24)14-11-22(19)36-25(37-23)39-18-5-2-3-6-18/h4,7-9,12,15,18H,2-3,5-6,10-11,13-14H2,1H3,(H,35,36,37)
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| InChIKey |
CGFZOAIXGZXDTF-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1