General Information of the Compound
| Compound ID |
CP0518407
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| Compound Name |
US9422293, 159
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| Structure |
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| Formula |
C29H34F3N7O2
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| Molecular Weight |
569.632
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)
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| InChIKey |
MPGZXGPADRWWBI-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