General Information of the Compound
| Compound ID |
CP0533972
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| Compound Name |
N-(4-methylphenyl)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-imine
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| Formula |
C26H20N2O4
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| Molecular Weight |
424.456
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| Canonical SMILES |
Cc1ccc(cc1)\N=c1/n2CCc3cc4OCOc4cc3-c2cc2ccc3OCOc3c12
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| InChI |
InChI=1S/C26H20N2O4/c1-15-2-5-18(6-3-15)27-26-24-17(4-7-21-25(24)32-14-29-21)10-20-19-12-23-22(30-13-31-23)11-16(19)8-9-28(20)26/h2-7,10-12H,8-9,13-14H2,1H3/b27-26-
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| InChIKey |
PFVPNWLFFSBZHI-RQZHXJHFSA-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