General Information of the Compound
| Compound ID |
CP0528735
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| Compound Name |
(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C27H36N6O3
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| Molecular Weight |
492.624
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| Canonical SMILES |
CC(C)C[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/C27H36N6O3/c1-18(2)16-23(25(28)35)33-26(36)22(14-9-15-31-27(29)30)32-24(34)17-21(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,17-18,22-23H,9,14-16H2,1-2H3,(H2,28,35)(H,32,34)(H,33,36)(H4,29,30,31)/t22-,23+/m1/s1
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| InChIKey |
DHCKIFBNEHPVAG-PKTZIBPZSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT07717, Prolactin-releasing peptide
Protein ID: PT05331, Pyroglutamylated RF-amide peptide receptor