General Information of the Compound
| Compound ID |
CP0437214
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| Compound Name |
(S)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C23H30N4O
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| Molecular Weight |
378.52
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| Canonical SMILES |
NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C23H30N4O/c24-13-7-2-8-14-27(17-18-9-3-1-4-10-18)23(28)21(25)15-19-16-26-22-12-6-5-11-20(19)22/h1,3-6,9-12,16,21,26H,2,7-8,13-15,17,24-25H2/t21-/m0/s1
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| InChIKey |
HEJCBRXAJKBBLU-NRFANRHFSA-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