General Information of the Compound
| Compound ID |
CP0399502
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| Compound Name |
N-[[1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
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| Structure |
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| Formula |
C23H29Cl2N5O
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| Molecular Weight |
462.425
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| Canonical SMILES |
NC(=N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H29Cl2N5O/c24-19-7-6-18(12-20(19)25)13-23(16-29-21(31)14-28-22(26)27)8-10-30(11-9-23)15-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,29,31)(H4,26,27,28)
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| InChIKey |
JKXJEIOISVQKNB-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