General Information of the Compound
| Compound ID |
CP0567800
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| Compound Name |
(2R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanamide
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| Structure |
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| Formula |
C26H34N6O3
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| Molecular Weight |
478.597
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H34N6O3/c1-17(2)23(24(27)34)32-25(35)21(14-9-15-30-26(28)29)31-22(33)16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,21,23H,9,14-15H2,1-2H3,(H2,27,34)(H,31,33)(H,32,35)(H4,28,29,30)/t21-,23+/m1/s1
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| InChIKey |
GHJLGRQIRHSGER-GGAORHGYSA-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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2