General Information of the Compound
| Compound ID |
CP0554365
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| Compound Name |
US9434711, 10
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| Structure |
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| Formula |
C23H20N4O2S2
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| Molecular Weight |
448.573
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1cccc2cccnc12)S(=O)(=O)c1cn(C)cn1
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| InChI |
InChI=1S/C23H20N4O2S2/c1-16-19-10-3-4-11-20(19)30-23(16)27(31(28,29)21-14-26(2)15-25-21)13-18-8-5-7-17-9-6-12-24-22(17)18/h3-12,14-15H,13H2,1-2H3
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| InChIKey |
MFVBCBSUDNSMHB-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