General Information of the Compound
| Compound ID |
CP0414179
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| Compound Name |
US9273043, B122(o)
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| Structure |
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| Formula |
C21H24FN5O3S
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| Molecular Weight |
445.52
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| Canonical SMILES |
C[C@@H](O)[C@H](O)c1cnc(N2CCN(C[C@H]2C)C(=O)Nc2nc3ccccc3s2)c(F)c1
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| InChI |
InChI=1S/C21H24FN5O3S/c1-12-11-26(21(30)25-20-24-16-5-3-4-6-17(16)31-20)7-8-27(12)19-15(22)9-14(10-23-19)18(29)13(2)28/h3-6,9-10,12-13,18,28-29H,7-8,11H2,1-2H3,(H,24,25,30)/t12-,13-,18+/m1/s1
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| InChIKey |
YGXKBCISOZLCJU-VFVRVIDISA-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