General Information of the Compound
| Compound ID |
CP0400369
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| Compound Name |
US9434711, 70
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| Structure |
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| Formula |
C29H21F4NO3S2
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| Molecular Weight |
571.617
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C29H21F4NO3S2/c1-19-24-12-5-6-13-27(24)38-28(19)34(18-20-14-15-26(30)25(16-20)29(31,32)33)39(35,36)23-11-7-10-22(17-23)37-21-8-3-2-4-9-21/h2-17H,18H2,1H3
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| InChIKey |
BBSDQGSTRAPIRW-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