General Information of the Compound
| Compound ID |
CP0437188
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| Compound Name |
tert-butyl N-[2-[(4-anilino-1-benzylpiperidin-4-yl)methylamino]-2-oxoethyl]carbamate
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| Structure |
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| Formula |
C26H36N4O3
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| Molecular Weight |
452.599
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| Canonical SMILES |
CC(C)(C)OC(=O)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
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| InChI |
InChI=1S/C26H36N4O3/c1-25(2,3)33-24(32)27-18-23(31)28-20-26(29-22-12-8-5-9-13-22)14-16-30(17-15-26)19-21-10-6-4-7-11-21/h4-13,29H,14-20H2,1-3H3,(H,27,32)(H,28,31)
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| InChIKey |
UDXMVAABRGXVON-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