General Information of the Compound
| Compound ID |
CP0123103
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| Compound Name |
US8962616, 1
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| Structure |
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| Formula |
C16H15F2N3O2S
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| Molecular Weight |
351.378
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| Canonical SMILES |
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1
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| InChIKey |
ITDPHYUDGLCWQU-VAHXTSCQSA-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