General Information of the Compound
| Compound ID |
CP0515577
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| Compound Name |
sodium;2-[2-[7-[[2-[2-[3-chloro-4-[[2-methoxy-4-(pyridine-2-carbonylamino)phenyl]carbamoyl]anilino]-2-oxoethoxy]acetyl]amino]heptylamino]-2-oxoethoxy]-5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoate
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| Formula |
C63H66ClN6NaO12
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| Molecular Weight |
1157.694
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| Canonical SMILES |
[Na+].COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COc2ccc(cc2C([O-])=O)-c2cccc(COc3cc4CC(C5CCCC5)C(=O)c4c(C)c3C)c2)cc1Cl
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| InChI |
InChI=1S/C63H67ClN6O12.Na/c1-38-39(2)59-44(30-48(60(59)74)41-15-7-8-16-41)31-54(38)81-34-40-14-13-17-42(28-40)43-19-24-53(49(29-43)63(77)78)82-37-57(72)67-27-11-6-4-5-10-26-66-56(71)35-80-36-58(73)68-45-20-22-47(50(64)32-45)61(75)70-51-23-21-46(33-55(51)79-3)69-62(76)52-18-9-12-25-65-52;/h9,12-14,17-25,28-29,31-33,41,48H,4-8,10-11,15-16,26-27,30,34-37H2,1-3H3,(H,66,71)(H,67,72)(H,68,73)(H,69,76)(H,70,75)(H,77,78);/q;+1/p-1
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| InChIKey |
ZQGNMNYQRQZAKJ-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