General Information of the Compound
| Compound ID |
CP0952444
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| Compound Name |
US9126941, RD90
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| Formula |
C22H19F3N4S
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| Molecular Weight |
428.483
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| Canonical SMILES |
[C-]#[N+]c1ccc(N2C(=S)N(c3ccc(C)cc3)C3(CCC3)/C2=N/C)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N4S/c1-14-5-7-15(8-6-14)29-20(30)28(19(27-3)21(29)11-4-12-21)16-9-10-18(26-2)17(13-16)22(23,24)25/h5-10,13H,4,11-12H2,1,3H3/b27-19-
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| InChIKey |
RMTWUJGVVLZZCL-DIBXZPPDSA-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