General Information of the Compound
| Compound ID |
CP0889380
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| Compound Name |
16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione 13-oxime
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| Structure |
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| Formula |
C18H18ClNO6
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| Molecular Weight |
379.796
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| Canonical SMILES |
C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
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| InChI |
InChI=1S/C18H18ClNO6/c1-9-6-15-14(26-15)5-3-2-4-10(20-24)7-11-16(18(23)25-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22,24H,6-7H2,1H3/b4-2+,5-3-,20-10+/t9-,14-,15-/m1/s1
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| InChIKey |
PXFCVALKVVALQA-HMGDJEQRSA-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