General Information of the Compound
| Compound ID |
CP0400011
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| Compound Name |
2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C35H50N4O2
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| Molecular Weight |
558.811
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| Canonical SMILES |
CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
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| InChI |
InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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| InChIKey |
JPIRXQSZJGNFKV-UHFFFAOYSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor