General Information of the Compound
| Compound ID |
CP0398317
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| Compound Name |
N-[[1-benzyl-4-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
NC(=N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-22-10-11-23-8-4-5-9-24(23)16-22)12-14-32(15-13-27)19-21-6-2-1-3-7-21/h1-11,16H,12-15,17-20H2,(H,31,33)(H4,28,29,30)
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| InChIKey |
KWCCRLUVBBXLLW-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