General Information of the Compound
| Compound ID |
CP0435774
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| Compound Name |
(2S)-2-amino-N-[(2R)-1-[[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C26H33N5O5
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| Molecular Weight |
495.58
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
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| InChI |
InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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| InChIKey |
NTLGBVODVYUHJV-XGRCMKMKSA-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: PT01515, Mu-type opioid receptor