General Information of the Compound
| Compound ID |
CP0519987
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-benzo[i][2]benzazepin-4-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C33H42N8O5
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| Molecular Weight |
630.75
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccc3ccccc3c2CN(CC(N)=O)C1=O
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| InChI |
InChI=1S/C33H42N8O5/c1-18-12-22(42)13-19(2)24(18)15-26(34)30(44)39-27(8-5-11-38-33(36)37)31(45)40-28-14-21-10-9-20-6-3-4-7-23(20)25(21)16-41(32(28)46)17-29(35)43/h3-4,6-7,9-10,12-13,26-28,42H,5,8,11,14-17,34H2,1-2H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t26-,27+,28-/m0/s1
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| InChIKey |
YIFWHJCELZDCAJ-IARZGTGTSA-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