General Information of the Compound
| Compound ID |
CP0423110
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| Compound Name |
2-{4-[2-Amino-3-(4-fluoro-phenyl)-propionyl]-3-methyl-2-oxopiperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide
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| Structure |
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| Formula |
C28H31FN4O3
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| Molecular Weight |
490.579
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN4O3/c1-18-27(35)33(14-13-32(18)28(36)24(30)16-19-8-11-23(29)12-9-19)25(26(34)31-2)17-20-7-10-21-5-3-4-6-22(21)15-20/h3-12,15,18,24-25H,13-14,16-17,30H2,1-2H3,(H,31,34)/t18-,24+,25-/m0/s1
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| InChIKey |
GQPNXZXCXCXNAT-MUEKUWCCSA-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: PT00911, Melanocyte-stimulating hormone receptor