General Information of the Compound
| Compound ID |
CP0436585
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| Compound Name |
(2S)-N-[4-(aminomethyl)phenyl]-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H27N5O2/c27-15-18-10-12-21(13-11-18)30-25(32)24(14-20-17-28-23-9-5-4-8-22(20)23)31-26(33)29-16-19-6-2-1-3-7-19/h1-13,17,24,28H,14-16,27H2,(H,30,32)(H2,29,31,33)/t24-/m0/s1
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| InChIKey |
FJVDDQFNULKYMY-DEOSSOPVSA-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