General Information of the Compound
| Compound ID |
CP0421921
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| Compound Name |
N-(3-aminopropyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C24H28ClN3O
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| Molecular Weight |
409.961
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| Canonical SMILES |
NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H28ClN3O/c25-21(16-19-8-2-1-3-9-19)18-28(15-7-14-26)24(29)13-6-10-20-17-27-23-12-5-4-11-22(20)23/h1-5,8-9,11-12,16-17,27H,6-7,10,13-15,18,26H2/b21-16-
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| InChIKey |
JPIMYVSNIMULBP-PGMHBOJBSA-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