General Information of the Compound
| Compound ID |
CP0455107
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| Compound Name |
2-[4-[2-Amino-3-(4-fluoro-phenyl)-propionyl]-3-(2-dimethylaminoethyl)-2-oxo-piperazin-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide
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| Structure |
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| Formula |
C31H38FN5O3
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| Molecular Weight |
547.675
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN(C)C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C31H38FN5O3/c1-34-29(38)28(20-22-8-11-23-6-4-5-7-24(23)18-22)37-17-16-36(27(31(37)40)14-15-35(2)3)30(39)26(33)19-21-9-12-25(32)13-10-21/h4-13,18,26-28H,14-17,19-20,33H2,1-3H3,(H,34,38)/t26-,27+,28+/m1/s1
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| InChIKey |
XHTANTIBUJVBIZ-PKTNWEFCSA-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