General Information of the Compound
| Compound ID |
CP0515421
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| Compound Name |
US9422293, 67B
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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 |
COCc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N5O/c1-25(2,3)17-7-9-18(10-8-17)31-23-19-11-14-34(15-12-21(19)32-22(33-23)16-35-4)24-20(26(27,28)29)6-5-13-30-24/h5-10,13H,11-12,14-16H2,1-4H3,(H,31,32,33)
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| InChIKey |
URKVVTKWUDGZHO-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