General Information of the Compound
| Compound ID |
CP0398019
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| Compound Name |
N-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
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| Structure |
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| Formula |
C26H32N6O
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| Molecular Weight |
444.583
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| Canonical SMILES |
NC(=N)NCC(=O)NCC1(CCN(Cc2cccc3ccccc23)CC1)Nc1ccccc1
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| InChI |
InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-22-10-2-1-3-11-22)13-15-32(16-14-26)18-21-9-6-8-20-7-4-5-12-23(20)21/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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| InChIKey |
FBSSYKYJUVRIDP-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