General Information of the Compound
| Compound ID |
CP0564289
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| Compound Name |
2-[(3S,14S,16S)-12-hydroxy-3-[(1R)-1-hydroxyethyl]-14-methyl-10,17-dioxo-15-oxa-2-azapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-1(18),6,8,11(19),12-pentaen-16-yl]acetic acid
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| Structure |
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| Formula |
C22H21NO7
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| Molecular Weight |
411.41
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| Canonical SMILES |
C[C@@H](O)[C@@H]1CCc2c3C=CC(=O)c4c(O)c5[C@H](C)O[C@@H](CC(O)=O)C(=O)c5c(n12)c34
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| InChI |
InChI=1S/C22H21NO7/c1-8(24)11-4-5-12-10-3-6-13(25)18-17(10)20(23(11)12)19-16(22(18)29)9(2)30-14(21(19)28)7-15(26)27/h3,6,8-9,11,14,24,29H,4-5,7H2,1-2H3,(H,26,27)/t8-,9+,11+,14+/m1/s1
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| InChIKey |
XQKQNMOKOZIAQO-DKZXUEBISA-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