General Information of the Compound
| Compound ID |
CP0413299
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| Compound Name |
US9422293, 267
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| Structure |
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| Formula |
C29H32F6N6
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| Molecular Weight |
578.605
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| Canonical SMILES |
CN(C1CCCCC1)c1nc2CCN(CCc2c(Nc2ccc(cc2C)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N6/c1-18-17-19(28(30,31)32)10-11-23(18)37-25-21-12-15-41(26-22(29(33,34)35)9-6-14-36-26)16-13-24(21)38-27(39-25)40(2)20-7-4-3-5-8-20/h6,9-11,14,17,20H,3-5,7-8,12-13,15-16H2,1-2H3,(H,37,38,39)
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| InChIKey |
MUHIGKLNNVDSMJ-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