General Information of the Compound
| Compound ID |
CP0576897
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| Compound Name |
US9278960, 4-76
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| Structure |
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| Formula |
C22H21F3N4O2S
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| Molecular Weight |
462.497
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| Canonical SMILES |
NC(=O)c1cc(-c2cnc(s2)C2CC2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
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| InChI |
InChI=1S/C22H21F3N4O2S/c23-22(24,25)19-11-29(5-6-31-19)10-12-1-4-14-15(8-17(20(26)30)28-16(14)7-12)18-9-27-21(32-18)13-2-3-13/h1,4,7-9,13,19H,2-3,5-6,10-11H2,(H2,26,30)
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| InChIKey |
PIRGOWKQRFTEFV-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