General Information of the Compound
| Compound ID |
CP0436162
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| Compound Name |
US10077266, Example 100
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| Structure |
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| Formula |
C21H25F4N5O3S
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| Molecular Weight |
503.522
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| Canonical SMILES |
CS(=O)(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NCC(F)F)nc2C1
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| InChI |
InChI=1S/C21H25F4N5O3S/c1-34(31,32)30-9-6-16-17(12-30)27-20(26-11-19(24)25)21(28-16)29-7-4-14(5-8-29)33-18-3-2-13(22)10-15(18)23/h2-3,10,14,19H,4-9,11-12H2,1H3,(H,26,27)
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| InChIKey |
SRXPWKHLALLUGY-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