General Information of the Compound
| Compound ID |
CP0444921
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| Compound Name |
US9422293, 175
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| Structure |
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| Formula |
C30H35F3N6O2
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| Molecular Weight |
568.644
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| Canonical SMILES |
COC(=O)C(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
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| InChI |
InChI=1S/C30H35F3N6O2/c1-29(2,27(40)41-3)20-9-11-21(12-10-20)35-25-22-13-18-38(26-23(30(31,32)33)8-7-15-34-26)19-14-24(22)36-28(37-25)39-16-5-4-6-17-39/h7-12,15H,4-6,13-14,16-19H2,1-3H3,(H,35,36,37)
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| InChIKey |
NXLHMQZJRRRHPG-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