General Information of the Compound
| Compound ID |
CP0908020
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| Compound Name |
SID24383931
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| Structure |
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| Formula |
C29H24N2O4S
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| Molecular Weight |
496.588
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| Canonical SMILES |
COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S+]3[O-])cc1
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| InChI |
InChI=1S/C29H24N2O4S/c1-35-23-14-11-20(12-15-23)18-30-28(32)22-13-16-27-25(17-22)31(19-21-7-3-2-4-8-21)29(33)24-9-5-6-10-26(24)36(27)34/h2-17H,18-19H2,1H3,(H,30,32)
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| InChIKey |
QZVYQEKZNAYMRK-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