General Information of the Compound
| Compound ID |
CP0394278
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C29H42N8O6
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| Molecular Weight |
598.705
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1
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| InChI |
InChI=1S/C29H42N8O6/c1-16-11-19(38)12-17(2)21(16)14-22(30)26(40)36-23(5-4-10-34-29(32)33)28(42)37-24(27(41)35-15-25(31)39)13-18-6-8-20(43-3)9-7-18/h6-9,11-12,22-24,38H,4-5,10,13-15,30H2,1-3H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,23+,24-/m0/s1
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| InChIKey |
UAJIBHYIOKBSNN-VXNXHJTFSA-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