General Information of the Compound
| Compound ID |
CP0518516
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| Compound Name |
US9434711, 552
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| Structure |
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| Formula |
C21H19F3N2O2S2
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| Molecular Weight |
452.523
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C21H19F3N2O2S2/c1-15-18-9-2-3-10-19(18)29-20(15)26(12-5-4-11-21(22,23)24)30(27,28)17-8-6-7-16(13-17)14-25/h2-3,6-10,13H,4-5,11-12H2,1H3
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| InChIKey |
UIDDRPPNGNROQR-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