General Information of the Compound
| Compound ID |
CP0515188
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| Compound Name |
N-[[1-benzyl-4-(3-methoxyanilino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
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| Structure |
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| Formula |
C23H32N6O2
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| Molecular Weight |
424.549
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| Canonical SMILES |
COc1cccc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C23H32N6O2/c1-31-20-9-5-8-19(14-20)28-23(17-27-21(30)15-26-22(24)25)10-12-29(13-11-23)16-18-6-3-2-4-7-18/h2-9,14,28H,10-13,15-17H2,1H3,(H,27,30)(H4,24,25,26)
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| InChIKey |
BODWLLWAGNGKQB-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