General Information of the Compound
| Compound ID |
CP0511080
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| Compound Name |
2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaen-13-ylideneaminooxy)-N-pyridin-3-ylmethyl-acetamide
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| Structure |
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| Formula |
C26H26ClN3O7
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| Molecular Weight |
527.961
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| Canonical SMILES |
C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NCc1cccnc1
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| InChI |
InChI=1S/C26H26ClN3O7/c1-15-9-22-21(37-22)7-3-2-6-17(30-35-14-23(33)29-13-16-5-4-8-28-12-16)10-18-24(26(34)36-15)19(31)11-20(32)25(18)27/h2-8,11-12,15,21-22,31-32H,9-10,13-14H2,1H3,(H,29,33)/b6-2+,7-3-,30-17+/t15-,21-,22-/m1/s1
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| InChIKey |
LQGXXJLULAVNOV-POOKCFBMSA-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