General Information of the Compound
| Compound ID |
CP0356857
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| Compound Name |
2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]phenyl]cinchoninic acid
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| Structure |
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| Formula |
C30H18N2O5S
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| Molecular Weight |
518.55
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| Canonical SMILES |
OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H18N2O5S/c33-30(34)22-14-24(31-23-4-2-1-3-21(22)23)17-5-7-18(8-6-17)27-28(32-37-29(27)20-11-12-38-15-20)19-9-10-25-26(13-19)36-16-35-25/h1-15H,16H2,(H,33,34)
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| InChIKey |
YJLRLBPNNUFJEB-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