General Information of the Compound
| Compound ID |
CP0086745
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| Compound Name |
US9403846, 2
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| Structure |
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| Formula |
C16H18F2N2OS
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| Molecular Weight |
324.396
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| Canonical SMILES |
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C16H18F2N2OS/c17-11-3-4-12(13(18)6-11)16-8-21-14(9-1-2-9)5-10(16)7-22-15(19)20-16/h3-4,6,9-10,14H,1-2,5,7-8H2,(H2,19,20)/t10-,14+,16-/m0/s1
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| InChIKey |
RHJJDGACVHKXNA-JJMVLAAESA-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