General Information of the Compound
| Compound ID |
CP0518958
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| Compound Name |
US9012651, 212
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| Structure |
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| Formula |
C16H18F3N3O4S
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| Molecular Weight |
405.398
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| Canonical SMILES |
C[C@@H](O)[C@@H](CO)NCc1ccnc(n1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3O4S/c1-10(24)14(9-23)21-8-12-6-7-20-15(22-12)11-2-4-13(5-3-11)27(25,26)16(17,18)19/h2-7,10,14,21,23-24H,8-9H2,1H3/t10-,14-/m1/s1
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| InChIKey |
JCOXSXYYIYSECH-QMTHXVAHSA-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