General Information of the Compound
| Compound ID |
CP0505666
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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-yl-acetamide
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| Structure |
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| Formula |
C25H24ClN3O7
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| Molecular Weight |
513.934
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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)Nc1cccnc1
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| InChI |
InChI=1S/C25H24ClN3O7/c1-14-9-21-20(36-21)7-3-2-5-15(29-34-13-22(32)28-16-6-4-8-27-12-16)10-17-23(25(33)35-14)18(30)11-19(31)24(17)26/h2-8,11-12,14,20-21,30-31H,9-10,13H2,1H3,(H,28,32)/b5-2+,7-3-,29-15+/t14-,20-,21-/m1/s1
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| InChIKey |
XMJMCHDPQSBEPP-ZJVMQZEVSA-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