General Information of the Compound
| Compound ID |
CP0921523
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| Compound Name |
SID56315085
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| Structure |
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| Formula |
C27H31N3O4S
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| Molecular Weight |
493.629
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| Canonical SMILES |
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1
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| InChI |
InChI=1S/C27H31N3O4S/c1-2-34-25-12-10-24(11-13-25)29-35(32,33)26-14-8-22(9-15-26)27(31)28-23-16-18-30(19-17-23)20-21-6-4-3-5-7-21/h3-15,23,29H,2,16-20H2,1H3,(H,28,31)
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| InChIKey |
GREMMCLHAVGTJP-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