General Information of the Compound
| Compound ID |
CP0406671
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| Compound Name |
N-[(5R)-5-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]benzamide
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| Structure |
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| Formula |
C28H31N3O8S
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| Molecular Weight |
569.636
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCCNC(=O)c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C28H31N3O8S/c1-37-22-11-13-23(14-12-22)40(35,36)31(18-20-10-15-25-26(17-20)39-19-38-25)24(28(33)30-34)9-5-6-16-29-27(32)21-7-3-2-4-8-21/h2-4,7-8,10-15,17,24,34H,5-6,9,16,18-19H2,1H3,(H,29,32)(H,30,33)/t24-/m1/s1
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| InChIKey |
AVKMHEGAXAZNPQ-XMMPIXPASA-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