General Information of the Compound
| Compound ID |
CP0493160
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| Compound Name |
US10300060, Example 15-98
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| Structure |
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| Formula |
C25H18F6N6O4S
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| Molecular Weight |
612.512
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(cnc2N)C(F)(F)F)nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H18F6N6O4S/c1-42(39,40)20-7-4-14(24(26,27)28)9-19(20)37-22(38)36-16-11-34-23(35-12-16)41-17-5-2-13(3-6-17)18-8-15(25(29,30)31)10-33-21(18)32/h2-12H,1H3,(H2,32,33)(H2,36,37,38)
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| InChIKey |
QZTGJELMWQYJCV-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