General Information of the Compound
| Compound ID |
CP0536856
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| Compound Name |
2-[3-(2,6-Diisopropyl-phenyl)-ureido]-N-(2,2-dimethyl-[1,3]dioxan-5-yl)-3-(1H-indol-3-yl)-2-methyl-propionamide
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| Structure |
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| Formula |
C31H42N4O4
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| Molecular Weight |
534.701
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1COC(C)(C)OC1
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| InChI |
InChI=1S/C31H42N4O4/c1-19(2)23-12-10-13-24(20(3)4)27(23)34-29(37)35-31(7,15-21-16-32-26-14-9-8-11-25(21)26)28(36)33-22-17-38-30(5,6)39-18-22/h8-14,16,19-20,22,32H,15,17-18H2,1-7H3,(H,33,36)(H2,34,35,37)
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| InChIKey |
COZVPGGEDBOYRG-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: PT02814, Gastrin-releasing peptide receptor
Protein ID: PT02963, Neuromedin-B receptor