General Information of the Compound
| Compound ID |
CP0534779
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| Compound Name |
(3R,4S)-3-acetamido-4-[[amino-[5-(4-phenyltriazol-1-yl)pentanoylamino]methylidene]amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C25H33N7O8
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| Molecular Weight |
559.58
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C25H33N7O8/c1-14(34)27-21-16(11-19(24(38)39)40-23(21)22(37)18(35)13-33)28-25(26)29-20(36)9-5-6-10-32-12-17(30-31-32)15-7-3-2-4-8-15/h2-4,7-8,11-12,16,18,21-23,33,35,37H,5-6,9-10,13H2,1H3,(H,27,34)(H,38,39)(H3,26,28,29,36)/t16-,18+,21+,22+,23?/m0/s1
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| InChIKey |
MJUCWYBTFJDIIE-MMMVJGQNSA-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