General Information of the Compound
| Compound ID |
CP0481356
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| Compound Name |
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-phenylbenzamide
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C28H32N6O3/c29-25(35)24(17-19-9-3-1-4-10-19)34-27(37)23(15-8-16-32-28(30)31)33-26(36)22-14-7-13-21(18-22)20-11-5-2-6-12-20/h1-7,9-14,18,23-24H,8,15-17H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24-/m1/s1
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| InChIKey |
POUFILVXNGANSY-DNQXCXABSA-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