General Information of the Compound
| Compound ID |
CP0549966
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| Compound Name |
US8916594, I-149
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| Formula |
C15H23F5N4O3S
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| Molecular Weight |
434.431
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C15H23F5N4O3S/c1-13(2,3)28(25,26)21-8-9-4-6-10(7-5-9)22-12-23-11(24-27-12)14(16,17)15(18,19)20/h9-10,21H,4-8H2,1-3H3,(H,22,23,24)/t9-,10-
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| InChIKey |
RUNYYNOTDPSEDX-MGCOHNPYSA-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