General Information of the Compound
| Compound ID |
CP0941863
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| Compound Name |
US9328120, 11
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| Structure |
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| Formula |
C20H24F2N6OS
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| Molecular Weight |
434.516
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| Canonical SMILES |
CN(C)c1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cs1
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| InChI |
InChI=1S/C20H24F2N6OS/c1-27(2)19-24-15(10-30-19)12-3-4-13(12)16-25-17-14(18(29)26-16)9-23-28(17)11-5-7-20(21,22)8-6-11/h9-13H,3-8H2,1-2H3,(H,25,26,29)/t12-,13-/m1/s1
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| InChIKey |
ICJMGUDIHNRWGT-CHWSQXEVSA-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