General Information of the Compound
| Compound ID |
CP0382252
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| Compound Name |
(2R)-2-amino-N-[3-cyclohexyl-4-(1,2,4-triazol-1-yl)butyl]-3-(4-fluorophenyl)propanamide
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| Structure |
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| Formula |
C21H30FN5O
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| Molecular Weight |
387.503
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| Canonical SMILES |
N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1
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| InChI |
InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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| InChIKey |
XDPKKXZLQXHONB-ROPPNANJSA-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