General Information of the Compound
| Compound ID |
CP0386795
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| Compound Name |
N-[[1-benzyl-3-(benzylamino)piperidin-3-yl]methyl]-2-(diaminomethylideneamino)acetamide
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
NC(=N)NCC(=O)NCC1(CCCN(Cc2ccccc2)C1)NCc1ccccc1
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| InChI |
InChI=1S/C23H32N6O/c24-22(25)26-15-21(30)27-17-23(28-14-19-8-3-1-4-9-19)12-7-13-29(18-23)16-20-10-5-2-6-11-20/h1-6,8-11,28H,7,12-18H2,(H,27,30)(H4,24,25,26)
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| InChIKey |
KTOXXPQPJXGXPZ-UHFFFAOYSA-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