General Information of the Compound
| Compound ID |
CP0474432
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| Compound Name |
US10047103, 198
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| Structure |
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| Formula |
C26H27FN4O5S2
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| Molecular Weight |
558.657
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| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(O)CC(C)OC(C)C2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C26H27FN4O5S2/c1-13-8-26(32,9-14(2)35-13)24-28-16(12-37-24)11-34-20-5-17(33-4)6-21-18(20)7-22(36-21)19-10-31-25(29-19)38-23(30-31)15(3)27/h5-7,10,12-15,32H,8-9,11H2,1-4H3/t13?,14?,15-,26?/m0/s1
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| InChIKey |
PWNJFOJOEMZUPR-BJPUXOLXSA-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