General Information of the Compound
| Compound ID |
CP0560092
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| Compound Name |
US9012651, 242
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| Structure |
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| Formula |
C15H18ClFN2OS
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| Molecular Weight |
328.84
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| Canonical SMILES |
CC(C)[C@@H](CO)NCc1nc(ccc1F)-c1ccc(Cl)s1
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| InChI |
InChI=1S/C15H18ClFN2OS/c1-9(2)13(8-20)18-7-12-10(17)3-4-11(19-12)14-5-6-15(16)21-14/h3-6,9,13,18,20H,7-8H2,1-2H3/t13-/m1/s1
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| InChIKey |
QWUYUEUGOHJHFV-CYBMUJFWSA-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