General Information of the Compound
| Compound ID |
CP0425721
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| Compound Name |
(Z)-N-((3-(aminomethyl)cyclohexyl)methyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C29H36ClN3O
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| Molecular Weight |
478.08
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| Canonical SMILES |
NCC1CCCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C29H36ClN3O/c30-26(17-22-8-2-1-3-9-22)21-33(20-24-11-6-10-23(16-24)18-31)29(34)15-7-12-25-19-32-28-14-5-4-13-27(25)28/h1-5,8-9,13-14,17,19,23-24,32H,6-7,10-12,15-16,18,20-21,31H2/b26-17-
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| InChIKey |
VCADRGFZMDROFP-ONUIUJJFSA-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