General Information of the Compound
| Compound ID |
CP0877838
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| Compound Name |
(S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide dihydrochloride
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| Structure |
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| Formula |
C31H50Cl2FN5O3
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| Molecular Weight |
630.677
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| Canonical SMILES |
CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1.Cl.Cl
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| InChI |
InChI=1S/C31H48FN5O3.2ClH/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-33-16-19-36(26)4;;/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40);2*1H/t25-,26+;;/m1../s1
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| InChIKey |
ZAHZIFGANRXOHN-JQJBDSOESA-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