General Information of the Compound
| Compound ID |
CP0437204
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C33H43ClFN3O
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| Molecular Weight |
552.178
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(CCc2c(F)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C33H43ClFN3O/c34-30-7-4-8-31(35)29(30)19-20-38(27-17-13-24(14-18-27)21-23-11-15-26(36)16-12-23)33(39)10-3-5-25-22-37-32-9-2-1-6-28(25)32/h1-2,4,6-9,22-24,26-27,37H,3,5,10-21,36H2
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| InChIKey |
CUTNJBIQWQWFPF-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor