General Information of the Compound
| Compound ID |
CP0645842
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| Compound Name |
16,19,19-trimethyl-(1S,5S)-2,4,13-trioxatetracyclo[13.3.1.01,5.06,11]nonadeca-6(11),7,9,15-tetraen-3-one
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| Structure |
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| Formula |
C19H22O4
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| Molecular Weight |
314.381
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| Canonical SMILES |
CC1=C2COCc3ccccc3[C@@H]3OC(=O)O[C@@]3(CC1)C2(C)C
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| InChI |
InChI=1S/C19H22O4/c1-12-8-9-19-16(22-17(20)23-19)14-7-5-4-6-13(14)10-21-11-15(12)18(19,2)3/h4-7,16H,8-11H2,1-3H3/t16-,19+/m0/s1
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| InChIKey |
QUWLMKKLVQUMEE-QFBILLFUSA-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