General Information of the Compound
| Compound ID |
CP0557391
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C28H38N8O5
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| Molecular Weight |
566.663
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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]1Cc2ccccc2N(CC(N)=O)C1=O
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| InChI |
InChI=1S/C28H38N8O5/c1-15-10-18(37)11-16(2)19(15)13-20(29)25(39)34-21(7-5-9-33-28(31)32)26(40)35-22-12-17-6-3-4-8-23(17)36(27(22)41)14-24(30)38/h3-4,6,8,10-11,20-22,37H,5,7,9,12-14,29H2,1-2H3,(H2,30,38)(H,34,39)(H,35,40)(H4,31,32,33)/t20-,21+,22-/m0/s1
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| InChIKey |
ZQIRZGGSGXQVGG-BDTNDASRSA-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