General Information of the Compound
| Compound ID |
CP0531718
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| Compound Name |
US9434711, 786
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| Structure |
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| Formula |
C21H26N4O2S2
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| Molecular Weight |
430.599
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| Canonical SMILES |
CN(C)c1cc(N)c(cn1)S(=O)(=O)N(CCC1CC1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H26N4O2S2/c1-14-16-6-4-5-7-18(16)28-21(14)25(11-10-15-8-9-15)29(26,27)19-13-23-20(24(2)3)12-17(19)22/h4-7,12-13,15H,8-11H2,1-3H3,(H2,22,23)
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| InChIKey |
FWDDOJDIKSNAJQ-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