General Information of the Compound
| Compound ID |
CP0380777
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| Compound Name |
methyl 3-[4-[[1-(dimethylcarbamoyl)tetrazol-5-yl]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C19H19N5O3
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| Molecular Weight |
365.393
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(Cc2nnnn2C(=O)N(C)C)cc1
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| InChI |
InChI=1S/C19H19N5O3/c1-23(2)19(26)24-17(20-21-22-24)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)18(25)27-3/h4-10,12H,11H2,1-3H3
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| InChIKey |
NMVMWJKPAIJGFT-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: PT01782, Monoglyceride lipase
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1