General Information of the Compound
| Compound ID |
CP0376482
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| Compound Name |
(2S)-N-(4-aminobutyl)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C28H38N6O2
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| Molecular Weight |
490.652
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| Canonical SMILES |
NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H38N6O2/c29-14-6-7-15-30-27(35)26(18-22-19-31-25-11-5-4-10-24(22)25)33-28(36)32-23-12-16-34(17-13-23)20-21-8-2-1-3-9-21/h1-5,8-11,19,23,26,31H,6-7,12-18,20,29H2,(H,30,35)(H2,32,33,36)/t26-/m0/s1
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| InChIKey |
OXMXHGSZCHXXHV-SANMLTNESA-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