General Information of the Compound
| Compound ID |
CP0529404
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| Compound Name |
US9422293, 126
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| Structure |
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| Formula |
C26H30F3N5O
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| Molecular Weight |
485.554
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| Canonical SMILES |
COc1ccccc1CCNc1nc(nc2CCN(CCc12)c1ncccc1C(F)(F)F)C(C)C
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| InChI |
InChI=1S/C26H30F3N5O/c1-17(2)23-32-21-12-16-34(25-20(26(27,28)29)8-6-13-31-25)15-11-19(21)24(33-23)30-14-10-18-7-4-5-9-22(18)35-3/h4-9,13,17H,10-12,14-16H2,1-3H3,(H,30,32,33)
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| InChIKey |
BYOYJDWKMCZWSS-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