General Information of the Compound
| Compound ID |
CP0566448
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| Compound Name |
US8916594, I-099
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| Formula |
C17H24FN5O3S
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| Molecular Weight |
397.476
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C17H24FN5O3S/c1-11(2)27(24,25)20-9-12-3-6-14(7-4-12)21-17-22-16(23-26-17)15-8-5-13(18)10-19-15/h5,8,10-12,14,20H,3-4,6-7,9H2,1-2H3,(H,21,22,23)/t12-,14-
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| InChIKey |
PPIUQPLWFJXMKZ-MQMHXKEQSA-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