General Information of the Compound
| Compound ID |
CP0423007
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| Compound Name |
sodium;2-[2-[8-[[2-[2-[3-chloro-4-[[2-methoxy-4-(pyridine-2-carbonylamino)phenyl]carbamoyl]anilino]-2-oxoethoxy]acetyl]amino]octylamino]-2-oxoethoxy]-5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoate
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| Formula |
C64H68ClN6NaO12
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| Molecular Weight |
1171.721
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| Canonical SMILES |
[Na+].COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCNC(=O)COc2ccc(cc2C([O-])=O)-c2cccc(COc3cc4CC(C5CCCC5)C(=O)c4c(C)c3C)c2)cc1Cl
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| InChI |
InChI=1S/C64H69ClN6O12.Na/c1-39-40(2)60-45(31-49(61(60)75)42-16-8-9-17-42)32-55(39)82-35-41-15-14-18-43(29-41)44-20-25-54(50(30-44)64(78)79)83-38-58(73)68-28-12-7-5-4-6-11-27-67-57(72)36-81-37-59(74)69-46-21-23-48(51(65)33-46)62(76)71-52-24-22-47(34-56(52)80-3)70-63(77)53-19-10-13-26-66-53;/h10,13-15,18-26,29-30,32-34,42,49H,4-9,11-12,16-17,27-28,31,35-38H2,1-3H3,(H,67,72)(H,68,73)(H,69,74)(H,70,77)(H,71,76)(H,78,79);/q;+1/p-1
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| InChIKey |
QPXFNSNFPVFVKG-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