General Information of the Compound
| Compound ID |
CP0550204
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| Compound Name |
US8901315, 149
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| Structure |
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| Formula |
C26H32N4O4S
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| Molecular Weight |
496.633
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C26H32N4O4S/c1-16-21-15-23(35-26(21)30(28-16)18-6-4-3-5-7-18)24(32)27-17-8-9-20(22(14-17)34-2)25(33)29-12-10-19(31)11-13-29/h8-9,14-15,18-19,31H,3-7,10-13H2,1-2H3,(H,27,32)
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| InChIKey |
FIMRVLDGXOGYFP-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