General Information of the Compound
| Compound ID |
CP0380155
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| Compound Name |
2-(3-Benzyl-ureido)-3-(1H-indol-3-yl)-N-(4-methyl-piperidin-1-ylmethyl)-propionamide
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| Structure |
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1
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| InChI |
InChI=1S/C26H33N5O2/c1-19-11-13-31(14-12-19)18-29-25(32)24(15-21-17-27-23-10-6-5-9-22(21)23)30-26(33)28-16-20-7-3-2-4-8-20/h2-10,17,19,24,27H,11-16,18H2,1H3,(H,29,32)(H2,28,30,33)/t24-/m0/s1
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| InChIKey |
MYTYZMBNMDOGRW-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