General Information of the Compound
| Compound ID |
CP0441329
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| Compound Name |
tert-butyl N-[N'-[3-[(4-anilino-1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
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| Structure |
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| Formula |
C37H48N6O5
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| Molecular Weight |
656.828
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| Canonical SMILES |
CC(C)(C)OC(=O)N\C(Nc1cccc(c1)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N/C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C37H48N6O5/c1-35(2,3)47-33(45)40-32(41-34(46)48-36(4,5)6)39-30-19-13-16-28(24-30)31(44)38-26-37(42-29-17-11-8-12-18-29)20-22-43(23-21-37)25-27-14-9-7-10-15-27/h7-19,24,42H,20-23,25-26H2,1-6H3,(H,38,44)(H2,39,40,41,45,46)
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| InChIKey |
MFCNLNAJVNURNL-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