General Information of the Compound
| Compound ID |
CP0439263
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| Compound Name |
2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-phenyl-cyclohexylmethyl)-propionamide
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| Structure |
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| Formula |
C38H48N4O2
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| Molecular Weight |
592.828
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C38H48N4O2/c1-26(2)30-18-14-19-31(27(3)4)34(30)41-36(44)42-37(5,23-28-24-39-33-20-11-10-17-32(28)33)35(43)40-25-38(21-12-7-13-22-38)29-15-8-6-9-16-29/h6,8-11,14-20,24,26-27,39H,7,12-13,21-23,25H2,1-5H3,(H,40,43)(H2,41,42,44)
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| InChIKey |
SXPDYFZKWLTBHG-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