General Information of the Compound
| Compound ID |
CP0494352
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| Compound Name |
methyl 4-[[4-anilino-4-[[[2-(diaminomethylideneamino)acetyl]amino]methyl]piperidin-1-yl]methyl]benzoate
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| Structure |
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| Formula |
C24H32N6O3
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| Molecular Weight |
452.559
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(N)=N)(CC2)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C24H32N6O3/c1-33-22(32)19-9-7-18(8-10-19)16-30-13-11-24(12-14-30,29-20-5-3-2-4-6-20)17-28-21(31)15-27-23(25)26/h2-10,29H,11-17H2,1H3,(H,28,31)(H4,25,26,27)
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| InChIKey |
VBJVJMPJFWOQSS-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