General Information of the Compound
| Compound ID |
CP0071874
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| Compound Name |
(3S)-3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C29H47N5O11
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| Molecular Weight |
641.719
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| Canonical SMILES |
CC(C)CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C29H47N5O11/c1-13(2)12-44-19-8-9-34(24(19)27(41)32-18-11-21(38)45-29(18)43)28(42)23(15(5)6)33-25(39)17(10-20(36)37)31-26(40)22(14(3)4)30-16(7)35/h13-15,17-19,22-24,29,43H,8-12H2,1-7H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t17-,18-,19-,22-,23-,24-,29?/m0/s1
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| InChIKey |
CKSRGYVELZYFSD-MYZDDSFLSA-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