General Information of the Compound
| Compound ID |
CP0566447
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| Compound Name |
US8916594, I-034
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| Formula |
C17H22F2N4O3S
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| Molecular Weight |
400.451
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| Canonical SMILES |
CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C17H22F2N4O3S/c1-2-27(24,25)20-10-11-3-6-13(7-4-11)21-17-22-16(23-26-17)14-8-5-12(18)9-15(14)19/h5,8-9,11,13,20H,2-4,6-7,10H2,1H3,(H,21,22,23)/t11-,13-
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| InChIKey |
NZLMFSBQOMUCIA-AULYBMBSSA-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