General Information of the Compound
| Compound ID |
CP0417127
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| Compound Name |
US10077266, Example 36
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| Structure |
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| Formula |
C23H31F2N5O3S
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| Molecular Weight |
495.596
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| Canonical SMILES |
CC(C)Nc1nc2CCN(C(C)c2nc1N1CCC(CC1)Oc1ccc(F)cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H31F2N5O3S/c1-14(2)26-22-23(28-21-15(3)30(34(4,31)32)12-9-19(21)27-22)29-10-7-17(8-11-29)33-20-6-5-16(24)13-18(20)25/h5-6,13-15,17H,7-12H2,1-4H3,(H,26,27)
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| InChIKey |
MRTDGKOOBSBFRW-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