General Information of the Compound
| Compound ID |
CP0449788
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| Compound Name |
1-(3-aminocyclohexyl)-3-(3-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea
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| Structure |
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| Formula |
C32H43N5O2
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| Molecular Weight |
529.729
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| Canonical SMILES |
NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C32H43N5O2/c33-25-12-7-13-26(19-25)35-32(39)36-27-14-8-15-28(20-27)37(22-23-9-2-1-3-10-23)31(38)18-6-11-24-21-34-30-17-5-4-16-29(24)30/h1-5,9-10,16-17,21,25-28,34H,6-8,11-15,18-20,22,33H2,(H2,35,36,39)
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| InChIKey |
MZAFRLYMPQCVGG-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