General Information of the Compound
| Compound ID |
CP0935285
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| Compound Name |
SID131460486
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1
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| InChI |
InChI=1S/C25H30N2O4S/c1-31-19-8-5-9-20(15-19)32(29,30)27-13-12-21-24(16-28)26-23-11-10-18(14-22(23)25(21)27)17-6-3-2-4-7-17/h5-6,8-11,14-15,21,24-26,28H,2-4,7,12-13,16H2,1H3/t21-,24+,25-/m1/s1
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| InChIKey |
TXVHSCAQDLOUOF-IEZKXTBUSA-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