General Information of the Compound
| Compound ID |
CP0423013
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| Compound Name |
sodium;2-[2-[6-[[2-[2-[3-chloro-4-[[2-methoxy-4-(pyridine-2-carbonylamino)phenyl]carbamoyl]anilino]-2-oxoethoxy]acetyl]amino]hexylamino]-2-oxoethoxy]-5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoate
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| Formula |
C62H64ClN6NaO12
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| Molecular Weight |
1143.667
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| Canonical SMILES |
[Na+].COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCNC(=O)COc2ccc(cc2C([O-])=O)-c2cccc(COc3cc4CC(C5CCCC5)C(=O)c4c(C)c3C)c2)cc1Cl
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| InChI |
InChI=1S/C62H65ClN6O12.Na/c1-37-38(2)58-43(29-47(59(58)73)40-14-6-7-15-40)30-53(37)80-33-39-13-12-16-41(27-39)42-18-23-52(48(28-42)62(76)77)81-36-56(71)66-26-10-5-4-9-25-65-55(70)34-79-35-57(72)67-44-19-21-46(49(63)31-44)60(74)69-50-22-20-45(32-54(50)78-3)68-61(75)51-17-8-11-24-64-51;/h8,11-13,16-24,27-28,30-32,40,47H,4-7,9-10,14-15,25-26,29,33-36H2,1-3H3,(H,65,70)(H,66,71)(H,67,72)(H,68,75)(H,69,74)(H,76,77);/q;+1/p-1
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| InChIKey |
KWILOUBHBQWVNT-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