General Information of the Compound
| Compound ID |
CP0539715
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| Compound Name |
US10077266, Example 152
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| Structure |
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| Formula |
C23H29F2N5O3S
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| Molecular Weight |
493.58
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| Canonical SMILES |
CS(=O)(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCC3)nc2C1
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| InChI |
InChI=1S/C23H29F2N5O3S/c1-34(31,32)30-12-9-19-20(14-30)27-22(26-16-3-2-4-16)23(28-19)29-10-7-17(8-11-29)33-21-6-5-15(24)13-18(21)25/h5-6,13,16-17H,2-4,7-12,14H2,1H3,(H,26,27)
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| InChIKey |
RJZHGBONFGIONP-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