General Information of the Compound
| Compound ID |
CP0426440
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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-fluorophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C28H39FN8O5
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| Molecular Weight |
586.669
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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](Cc1ccc(F)cc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C28H39FN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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| InChIKey |
FTVVUDOEAAUYRK-ZRBLBEILSA-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