General Information of the Compound
| Compound ID |
CP0423015
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| Compound Name |
sodium;2-[2-[12-[[2-[2-[3-chloro-4-[[2-methoxy-4-(pyridine-2-carbonylamino)phenyl]carbamoyl]anilino]-2-oxoethoxy]acetyl]amino]dodecylamino]-2-oxoethoxy]-5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoate
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| Formula |
C68H76ClN6NaO12
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| Molecular Weight |
1227.829
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| Canonical SMILES |
[Na+].COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCCCCNC(=O)COc2ccc(cc2C([O-])=O)-c2cccc(COc3cc4CC(C5CCCC5)C(=O)c4c(C)c3C)c2)cc1Cl
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| InChI |
InChI=1S/C68H77ClN6O12.Na/c1-43-44(2)64-49(35-53(65(64)79)46-20-12-13-21-46)36-59(43)86-39-45-19-18-22-47(33-45)48-24-29-58(54(34-48)68(82)83)87-42-62(77)72-32-16-11-9-7-5-4-6-8-10-15-31-71-61(76)40-85-41-63(78)73-50-25-27-52(55(69)37-50)66(80)75-56-28-26-51(38-60(56)84-3)74-67(81)57-23-14-17-30-70-57;/h14,17-19,22-30,33-34,36-38,46,53H,4-13,15-16,20-21,31-32,35,39-42H2,1-3H3,(H,71,76)(H,72,77)(H,73,78)(H,74,81)(H,75,80)(H,82,83);/q;+1/p-1
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| InChIKey |
LDQNWULLQWASQJ-UHFFFAOYSA-M
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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: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT02446, Metabotropic glutamate receptor 4