General Information of the Compound
| Compound ID |
CP0529317
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| Compound Name |
US8916594, I-143
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| Formula |
C18H30F2N4O3S
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| Molecular Weight |
420.526
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(C)CC(F)(F)C1
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| InChI |
InChI=1S/C18H30F2N4O3S/c1-16(2,3)28(25,26)21-9-12-5-7-13(8-6-12)22-15-23-14(24-27-15)17(4)10-18(19,20)11-17/h12-13,21H,5-11H2,1-4H3,(H,22,23,24)/t12-,13-
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| InChIKey |
CKOYLPZYLBBFIA-JOCQHMNTSA-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