General Information of the Compound
| Compound ID |
CP0389161
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| Compound Name |
methyl (1S,14R,16S,17S)-16-ethyl-7-methoxy-3-(methoxymethyl)-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4(9),5,7-tetraene-1-carboxylate
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
CC[C@H]1C[C@H]2CN3Cn4c(c(COC)c5ccc(OC)cc45)[C@](C2)([C@H]13)C(=O)OC
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| InChI |
InChI=1S/C23H30N2O4/c1-5-15-8-14-10-23(22(26)29-4)20(15)24(11-14)13-25-19-9-16(28-3)6-7-17(19)18(12-27-2)21(23)25/h6-7,9,14-15,20H,5,8,10-13H2,1-4H3/t14-,15+,20+,23+/m1/s1
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| InChIKey |
OTMISWKUNNTVAS-YOTMJQBJSA-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8