General Information of the Compound
| Compound ID |
CP0850424
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| Compound Name |
(2S,4R)-1-((S)-2-(2-azidoacetamido)propanoyl)-4-hydroxy-N-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxohexan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H41N7O7
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| Molecular Weight |
551.645
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C25H41N7O7/c1-6-7-8-17(22(36)30-18(9-14(2)3)21(35)25(5)13-39-25)29-23(37)19-10-16(33)12-32(19)24(38)15(4)28-20(34)11-27-31-26/h14-19,33H,6-13H2,1-5H3,(H,28,34)(H,29,37)(H,30,36)/t15-,16+,17-,18-,19-,25+/m0/s1
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| InChIKey |
DMIHCHIITARUSM-KNOPUDJJSA-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