General Information of the Compound
| Compound ID |
CP0561854
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| Compound Name |
methyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]butanoate
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| Structure |
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| Formula |
C28H33N3O5
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| Molecular Weight |
491.588
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| Canonical SMILES |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C
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| InChI |
InChI=1S/C28H33N3O5/c1-16(2)15-21(26(33)31-23(17(3)4)28(35)36-5)30-27(34)25(32)22-19-13-9-10-14-20(19)29-24(22)18-11-7-6-8-12-18/h6-14,16-17,21,23,29H,15H2,1-5H3,(H,30,34)(H,31,33)/t21-,23-/m0/s1
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| InChIKey |
ABYIXBHLPAQXPA-GMAHTHKFSA-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