General Information of the Compound
| Compound ID |
CP0374816
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| Compound Name |
(2R)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C23H29N5O2/c24-12-6-7-13-25-22(29)21(14-18-16-26-20-11-5-4-10-19(18)20)28-23(30)27-15-17-8-2-1-3-9-17/h1-5,8-11,16,21,26H,6-7,12-15,24H2,(H,25,29)(H2,27,28,30)/t21-/m1/s1
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| InChIKey |
CKUHVWJCONRCIC-OAQYLSRUSA-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