General Information of the Compound
| Compound ID |
CP0573614
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| Compound Name |
(2R)-N-[(2S)-1-amino-3-(2-bromophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanamide
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| Structure |
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| Formula |
C30H33BrN6O3
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| Molecular Weight |
605.537
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1Br)C(N)=O
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| InChI |
InChI=1S/C30H33BrN6O3/c31-24-15-8-7-14-22(24)18-26(28(32)39)37-29(40)25(16-9-17-35-30(33)34)36-27(38)19-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,19,25-26H,9,16-18H2,(H2,32,39)(H,36,38)(H,37,40)(H4,33,34,35)/t25-,26+/m1/s1
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| InChIKey |
NOTBTEPSIBEBDX-FTJBHMTQSA-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