General Information of the Compound
| Compound ID |
CP0421930
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| Compound Name |
N-benzyl-N-[4-[[4-(diaminomethylideneamino)cyclohexyl]methyl]cyclohexyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C33H45N5O
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| Molecular Weight |
527.757
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| Canonical SMILES |
NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)
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| InChIKey |
NIZOJDGLQSFHGZ-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