General Information of the Compound
| Compound ID |
CP0547822
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| Compound Name |
US10047103, 228
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| Structure |
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| Formula |
C25H18FN5O3S
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| Molecular Weight |
487.516
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(F)nc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C25H18FN5O3S/c1-14-3-6-24-29-19(11-31(24)30-14)22-9-18-20(7-17(32-2)8-21(18)34-22)33-12-16-13-35-25(28-16)15-4-5-23(26)27-10-15/h3-11,13H,12H2,1-2H3
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| InChIKey |
CCIZIVKNXWVTSY-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