General Information of the Compound
| Compound ID |
CP0560662
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| Compound Name |
US8916594, I-145
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| Formula |
C13H21F3N4O3S
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| Molecular Weight |
370.397
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)F
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| InChI |
InChI=1S/C13H21F3N4O3S/c1-8(2)24(21,22)17-7-9-3-5-10(6-4-9)18-12-19-11(20-23-12)13(14,15)16/h8-10,17H,3-7H2,1-2H3,(H,18,19,20)/t9-,10-
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| InChIKey |
PFWKPGQADPWDGT-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