General Information of the Compound
| Compound ID |
CP0552739
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| Compound Name |
(2S)-2-amino-N-[(2R)-1-[[(2S)-4-(2-amino-2-oxoethyl)-3-oxo-2,5-dihydro-1H-benzo[g][2]benzazepin-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-methylpropanamide
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| Structure |
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| Formula |
C31H37N5O5
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| Molecular Weight |
559.667
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| Canonical SMILES |
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21
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| InChI |
InChI=1S/C31H37N5O5/c1-17-11-22(37)12-18(2)24(17)13-26(32)30(40)35(4)19(3)29(39)34-27-14-25-21(15-36(31(27)41)16-28(33)38)10-9-20-7-5-6-8-23(20)25/h5-12,19,26-27,37H,13-16,32H2,1-4H3,(H2,33,38)(H,34,39)/t19-,26+,27+/m1/s1
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| InChIKey |
FYXNDOATHYRSML-VHEIIQRDSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor