General Information of the Compound
| Compound ID |
CP0512114
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| Compound Name |
US9133168, Example 6e
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| Structure |
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| Formula |
C19H21FN4O2S
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| Molecular Weight |
388.468
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| Canonical SMILES |
Cn1c(CC(=O)N2CCc3c2cccc3F)nc(cc1=S)N1CCOCC1
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| InChI |
InChI=1S/C19H21FN4O2S/c1-22-16(21-17(12-19(22)27)23-7-9-26-10-8-23)11-18(25)24-6-5-13-14(20)3-2-4-15(13)24/h2-4,12H,5-11H2,1H3
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| InChIKey |
RCDDMZBMZODIEZ-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