General Information of the Compound
| Compound ID |
CP0506840
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| Compound Name |
US9233953, 72
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| Structure |
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| Formula |
C19H22F3N5O3S2
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| Molecular Weight |
489.545
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| Canonical SMILES |
Cc1cnc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C19H22F3N5O3S2/c1-12-8-25-17(31-12)14-11-26(16-10-23-15(9-24-16)19(20,21)22)4-5-27(14)18(28)13-2-6-32(29,30)7-3-13/h8-10,13-14H,2-7,11H2,1H3
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| InChIKey |
NWHHPUDKDYLIBY-UHFFFAOYSA-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