General Information of the Compound
| Compound ID |
CP0495319
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| Compound Name |
US9422293, 286
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| Structure |
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| Formula |
C26H31BrClN5
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| Molecular Weight |
528.926
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncc(Br)cc1Cl
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| InChI |
InChI=1S/C26H31BrClN5/c1-16(2)23-31-22-11-13-33(25-21(28)14-18(27)15-29-25)12-10-20(22)24(32-23)30-19-8-6-17(7-9-19)26(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,30,31,32)
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| InChIKey |
JEFNXJBWGVEHMM-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