General Information of the Compound
| Compound ID |
CP0421923
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| Compound Name |
N-(3-aminopropyl)-N-[1-(1-benzothiophen-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C25H29N3OS
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| Molecular Weight |
419.594
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| Canonical SMILES |
CC(N(CCCN)C(=O)CCCc1c[nH]c2ccccc12)c1csc2ccccc12
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| InChI |
InChI=1S/C25H29N3OS/c1-18(22-17-30-24-12-5-3-10-21(22)24)28(15-7-14-26)25(29)13-6-8-19-16-27-23-11-4-2-9-20(19)23/h2-5,9-12,16-18,27H,6-8,13-15,26H2,1H3
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| InChIKey |
NGPSXTZXSLHUJZ-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor