General Information of the Compound
| Compound ID |
CP0435771
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| Compound Name |
N-(2-aminoethyl)-3-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
NCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H25N3O/c23-14-16-25(15-6-9-18-7-2-1-3-8-18)22(26)13-12-19-17-24-21-11-5-4-10-20(19)21/h1-11,17,24H,12-16,23H2/b9-6+
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| InChIKey |
VIJGOYWNLMNJOF-RMKNXTFCSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor