General Information of the Compound
| Compound ID |
CP0466489
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| Compound Name |
US8901315, 115
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| Structure |
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| Formula |
C23H28N4O3S
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| Molecular Weight |
440.569
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCCC4)c3s2)ccc1NC(C)=O
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| InChI |
InChI=1S/C23H28N4O3S/c1-14-18-13-21(31-23(18)27(26-14)17-8-6-4-5-7-9-17)22(29)25-16-10-11-19(24-15(2)28)20(12-16)30-3/h10-13,17H,4-9H2,1-3H3,(H,24,28)(H,25,29)
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| InChIKey |
OWANAZSRLGXIEL-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