General Information of the Compound
| Compound ID |
CP0412896
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| Compound Name |
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H30N6O3/c27-23(33)22(16-17-8-2-1-3-9-17)32-25(35)21(14-7-15-30-26(28)29)31-24(34)20-13-6-11-18-10-4-5-12-19(18)20/h1-6,8-13,21-22H,7,14-16H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1
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| InChIKey |
UGTANCGBLMJALQ-VXKWHMMOSA-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