General Information of the Compound
| Compound ID |
CP0556643
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| Compound Name |
US10308660, Example 111
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| Structure |
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| Formula |
C20H24F3N5O2S
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| Molecular Weight |
455.506
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
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| InChI |
InChI=1S/C20H24F3N5O2S/c1-12-15(24)19(11-30-12)5-8-28(9-6-19)18-26-10-14(17(29)27(18)2)31-13-4-3-7-25-16(13)20(21,22)23/h3-4,7,10,12,15H,5-6,8-9,11,24H2,1-2H3/t12-,15+/m0/s1
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| InChIKey |
NNUUVQNSRWHSDO-SWLSCSKDSA-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