General Information of the Compound
| Compound ID |
CP0415203
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| Compound Name |
3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[2-[2-[2-[2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
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| Structure |
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| Formula |
C60H62Cl4N8O9
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| Molecular Weight |
1181.015
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| Canonical SMILES |
Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C60H62Cl4N8O9/c61-45-35-55(80-53-17-19-65-37-43(53)59(75)71-25-23-69(41-11-12-41)49-5-1-3-7-51(49)71)47(63)33-39(45)9-15-57(73)67-21-27-77-29-31-79-32-30-78-28-22-68-58(74)16-10-40-34-48(64)56(36-46(40)62)81-54-18-20-66-38-44(54)60(76)72-26-24-70(42-13-14-42)50-6-2-4-8-52(50)72/h1-8,17-20,33-38,41-42H,9-16,21-32H2,(H,67,73)(H,68,74)
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| InChIKey |
MFMRXWDCIXCIMX-UHFFFAOYSA-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1