General Information of the Compound
| Compound ID |
CP0553112
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| Compound Name |
5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene
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| Structure |
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| Formula |
C19H17NO4
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| Molecular Weight |
323.348
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| Canonical SMILES |
C1Oc2cc3CC4N(CCc5cc6OCOc6cc45)Cc3cc2O1
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| InChI |
InChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2
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| InChIKey |
DEXCWVBNPJKCOQ-UHFFFAOYSA-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