General Information of the Compound
| Compound ID |
CP0474958
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| Compound Name |
US9422293, 296
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| Structure |
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| Formula |
C28H37N5O2S
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| Molecular Weight |
507.704
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| Canonical SMILES |
CCS(=O)(=O)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)C(C)(C)C)c2CC1)C(C)C
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| InChI |
InChI=1S/C28H37N5O2S/c1-7-36(34,35)24-9-8-16-29-27(24)33-17-14-22-23(15-18-33)31-25(19(2)3)32-26(22)30-21-12-10-20(11-13-21)28(4,5)6/h8-13,16,19H,7,14-15,17-18H2,1-6H3,(H,30,31,32)
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| InChIKey |
VENAOHLCQXYNGR-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