General Information of the Compound
| Compound ID |
CP0564077
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| Compound Name |
US9233953, 60
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| Structure |
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| Formula |
C21H22F4N4O3S
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| Molecular Weight |
486.491
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| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F4N4O3S/c22-16-3-1-14(2-4-16)17-13-28(19-12-26-18(11-27-19)21(23,24)25)7-8-29(17)20(30)15-5-9-33(31,32)10-6-15/h1-4,11-12,15,17H,5-10,13H2/t17-/m0/s1
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| InChIKey |
RMXGAKRFHLUROE-KRWDZBQOSA-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