General Information of the Compound
| Compound ID |
CP0471803
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| Compound Name |
2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-phenethyl-propionamide
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| Structure |
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| Formula |
C33H40N4O2
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| Molecular Weight |
524.709
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H40N4O2/c1-22(2)26-15-11-16-27(23(3)4)30(26)36-32(39)37-33(5,20-25-21-35-29-17-10-9-14-28(25)29)31(38)34-19-18-24-12-7-6-8-13-24/h6-17,21-23,35H,18-20H2,1-5H3,(H,34,38)(H2,36,37,39)
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| InChIKey |
DKSHYYFVJZOTGL-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