General Information of the Compound
| Compound ID |
CP0540401
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| Compound Name |
US10047103, 194
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| Structure |
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| Formula |
C28H24FN5O4S2
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| Molecular Weight |
577.663
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(cc2)C(=O)N(C)C)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C28H24FN5O4S2/c1-15(29)25-32-34-12-21(31-28(34)40-25)24-11-20-22(9-19(36-4)10-23(20)38-24)37-13-18-14-39-26(30-18)16-5-7-17(8-6-16)27(35)33(2)3/h5-12,14-15H,13H2,1-4H3/t15-/m0/s1
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| InChIKey |
SYSGPLTVMFJLOO-HNNXBMFYSA-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