General Information of the Compound
| Compound ID |
CP0310709
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| Compound Name |
2-[1-[1-aminomethylcarboxamido-2-heptylcarbonyloxy-(1S)-ethylcarboxamido]-2-hydroxy-(1S)-ethylcarboxamido]-3-phenyl-(2S)-propanoic acid
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| Structure |
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| Formula |
C25H38N4O8
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| Molecular Weight |
522.599
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| Canonical SMILES |
CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C25H38N4O8/c1-2-3-4-5-9-12-22(32)37-16-20(27-21(31)14-26)24(34)29-19(15-30)23(33)28-18(25(35)36)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,30H,2-5,9,12-16,26H2,1H3,(H,27,31)(H,28,33)(H,29,34)(H,35,36)/t18-,19-,20-/m0/s1
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| InChIKey |
VDHNKZWDTAZSFR-UFYCRDLUSA-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