General Information of the Compound
| Compound ID |
CP0462571
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| Compound Name |
N-(3-aminopropyl)-2-(1H-indol-3-yl)-2-oxo-N-[(E)-3-phenylprop-2-enyl]acetamide
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
NCCCN(C\C=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H23N3O2/c23-13-7-15-25(14-6-10-17-8-2-1-3-9-17)22(27)21(26)19-16-24-20-12-5-4-11-18(19)20/h1-6,8-12,16,24H,7,13-15,23H2/b10-6+
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| InChIKey |
KEGYADXLNNGMEW-UXBLZVDNSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor