General Information of the Compound
| Compound ID |
CP0412460
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| Compound Name |
US8778932, 31
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| Structure |
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| Formula |
C20H12F3N3O2S
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| Molecular Weight |
415.396
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| Canonical SMILES |
CC1=NN=C(c2cc3c(cccc3s2)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1
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| InChI |
InChI=1S/C20H12F3N3O2S/c1-9-5-10-6-14-15(28-19(27)24-14)7-11(10)18(26-25-9)17-8-12-13(20(21,22)23)3-2-4-16(12)29-17/h2-4,6-8H,5H2,1H3,(H,24,27)
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| InChIKey |
CQMLETFIENAKAA-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