General Information of the Compound
| Compound ID |
CP0479736
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| Compound Name |
US9422293, 289
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| Structure |
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| Formula |
C27H34N6O2
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| Molecular Weight |
474.609
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncc(cc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C27H34N6O2/c1-17(2)24-30-23-12-14-32(26-18(3)15-21(16-28-26)33(34)35)13-11-22(23)25(31-24)29-20-9-7-19(8-10-20)27(4,5)6/h7-10,15-17H,11-14H2,1-6H3,(H,29,30,31)
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| InChIKey |
DZMXZHJPIDOGMK-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