General Information of the Compound
| Compound ID |
CP0578555
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| Compound Name |
US9278960, 4-116
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| Structure |
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| Formula |
C21H20F4N4O2S
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| Molecular Weight |
468.476
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnc(CF)s2)C[C@@H](O1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30)/t11-,18-/m1/s1
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| InChIKey |
TWPMETSQTAHQLU-ADLMAVQZSA-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