General Information of the Compound
| Compound ID |
CP0436584
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| Compound Name |
(2S)-N-(6-aminohexyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C25H33N5O2
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| Molecular Weight |
435.572
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| Canonical SMILES |
NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C25H33N5O2/c26-14-8-1-2-9-15-27-24(31)23(16-20-18-28-22-13-7-6-12-21(20)22)30-25(32)29-17-19-10-4-3-5-11-19/h3-7,10-13,18,23,28H,1-2,8-9,14-17,26H2,(H,27,31)(H2,29,30,32)/t23-/m0/s1
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| InChIKey |
UGXCXESQVHWUAG-QHCPKHFHSA-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