General Information of the Compound
| Compound ID |
CP0464549
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| Compound Name |
(Z)-N-(3-aminopropyl)-N-(2-chloro-3-phenylallyl)-2-(1H-indol-3-yl)-2-oxoacetamide
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| Structure |
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| Formula |
C22H22ClN3O2
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| Molecular Weight |
395.89
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| Canonical SMILES |
NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H22ClN3O2/c23-17(13-16-7-2-1-3-8-16)15-26(12-6-11-24)22(28)21(27)19-14-25-20-10-5-4-9-18(19)20/h1-5,7-10,13-14,25H,6,11-12,15,24H2/b17-13-
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| InChIKey |
BSOAWEMWSFGNBX-LGMDPLHJSA-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