General Information of the Compound
| Compound ID |
CP0568483
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| Compound Name |
(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanamide
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| Structure |
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| Formula |
C24H30N6O3
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| Molecular Weight |
450.543
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| Canonical SMILES |
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/C24H30N6O3/c1-16(22(25)32)29-23(33)20(13-8-14-28-24(26)27)30-21(31)15-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,15-16,20H,8,13-14H2,1H3,(H2,25,32)(H,29,33)(H,30,31)(H4,26,27,28)/t16-,20-/m1/s1
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| InChIKey |
NONZLXFUBQFSBF-OXQOHEQNSA-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