General Information of the Compound
| Compound ID |
CP0460240
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| Compound Name |
US9862730, Example 407
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| Structure |
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| Formula |
C29H24FN3O4S
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| Molecular Weight |
529.593
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| Canonical SMILES |
COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C29H24FN3O4S/c1-18(30)28-32-33-15-24(31-29(33)38-28)27-14-23-25(12-22(34-2)13-26(23)37-27)36-17-20-9-6-10-21(11-20)35-16-19-7-4-3-5-8-19/h3-15,18H,16-17H2,1-2H3/t18-/m0/s1
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| InChIKey |
QWTRHHBZNJLDKD-SFHVURJKSA-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