General Information of the Compound
| Compound ID |
CP0470342
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| Compound Name |
US9233953, 156
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| Structure |
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| Formula |
C18H18F6N4O3S3
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| Molecular Weight |
548.556
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| Canonical SMILES |
FC(F)(F)c1ccc(s1)[C@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1nnc(s1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F6N4O3S3/c19-17(20,21)13-2-1-12(32-13)11-9-27(16-26-25-15(33-16)18(22,23)24)5-6-28(11)14(29)10-3-7-34(30,31)8-4-10/h1-2,10-11H,3-9H2/t11-/m1/s1
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| InChIKey |
GTTZBZMKBYNQIG-LLVKDONJSA-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