General Information of the Compound
| Compound ID |
CP0557061
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| Compound Name |
methyl (2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]butanoyl]amino]pentanoate
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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 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C)C(=O)OC
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| InChI |
InChI=1S/C28H33N3O5/c1-6-17(4)23(28(35)36-5)31-26(33)22(16(2)3)30-27(34)25(32)21-19-14-10-11-15-20(19)29-24(21)18-12-8-7-9-13-18/h7-17,22-23,29H,6H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,23-/m0/s1
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| InChIKey |
OJGVAQYHHAIMOZ-RTFZILSDSA-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