General Information of the Compound
| Compound ID |
CP0430108
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| Compound Name |
2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2,N-dimethyl-propionamide
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(cccc1C(C)C)C(C)C
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| InChI |
InChI=1S/C26H34N4O2/c1-16(2)19-11-9-12-20(17(3)4)23(19)29-25(32)30-26(5,24(31)27-6)14-18-15-28-22-13-8-7-10-21(18)22/h7-13,15-17,28H,14H2,1-6H3,(H,27,31)(H2,29,30,32)
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| InChIKey |
JSKGXFZDJKIKGY-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