General Information of the Compound
| Compound ID |
CP0242332
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| Compound Name |
US9340555, 31
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| Structure |
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| Formula |
C27H25F2N5O5S
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| Molecular Weight |
569.59
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| Canonical SMILES |
COC(=O)CNCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C27H25F2N5O5S/c1-15-3-5-17(28)20(11-15)34-27(37)33-19-6-4-16(12-18(19)29)39-22-7-8-31-21-13-23(40-25(21)22)26(36)32-10-9-30-14-24(35)38-2/h3-8,11-13,30H,9-10,14H2,1-2H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
JPMRQZPGRKLGGS-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