General Information of the Compound
| Compound ID |
CP0546348
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| Compound Name |
(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanoyl]amino]pentanediamide
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| Structure |
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| Formula |
C26H33N7O4
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| Molecular Weight |
507.595
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H33N7O4/c27-22(34)14-13-20(24(28)36)33-25(37)21(12-7-15-31-26(29)30)32-23(35)16-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,20-21H,7,12-15H2,(H2,27,34)(H2,28,36)(H,32,35)(H,33,37)(H4,29,30,31)/t20-,21+/m0/s1
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| InChIKey |
UHEJRAABOOBYET-LEWJYISDSA-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