General Information of the Compound
| Compound ID |
CP0434443
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| Compound Name |
2-(4-methoxybenzoyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C34H48N4O3
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| Molecular Weight |
560.783
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
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| InChI |
InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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| InChIKey |
SXYITQIOONIMPP-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