General Information of the Compound
| Compound ID |
CP0449787
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| Compound Name |
(Z)-N-(4-aminobutyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C25H30ClN3O
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| Molecular Weight |
423.988
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| Canonical SMILES |
NCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H30ClN3O/c26-22(17-20-9-2-1-3-10-20)19-29(16-7-6-15-27)25(30)14-8-11-21-18-28-24-13-5-4-12-23(21)24/h1-5,9-10,12-13,17-18,28H,6-8,11,14-16,19,27H2/b22-17-
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| InChIKey |
DFLHMQJGWDDBDL-XLNRJJMWSA-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