General Information of the Compound
| Compound ID |
CP0545984
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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-ethenylphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C30H42N8O5
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| Molecular Weight |
594.717
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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(C=C)cc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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| InChIKey |
YMVMXEIOULJWCY-GVAUOCQISA-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