General Information of the Compound
| Compound ID |
CP0386583
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| Compound Name |
(2S)-2-amino-N-[[4-anilino-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C26H39N7O
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| Molecular Weight |
465.646
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| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(CCc2ccccc2)CC1)Nc1ccccc1
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| InChI |
InChI=1S/C26H39N7O/c27-23(12-7-16-30-25(28)29)24(34)31-20-26(32-22-10-5-2-6-11-22)14-18-33(19-15-26)17-13-21-8-3-1-4-9-21/h1-6,8-11,23,32H,7,12-20,27H2,(H,31,34)(H4,28,29,30)/t23-/m0/s1
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| InChIKey |
SAFSCKKDYNYXHK-QHCPKHFHSA-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