General Information of the Compound
| Compound ID |
CP0436935
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| Compound Name |
(2S)-N-(3-aminopropyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1
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| InChIKey |
LTPXHKJHVKQPSW-FQEVSTJZSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor