General Information of the Compound
| Compound ID |
CP0553657
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| Compound Name |
US9546153, ex. 41
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| Structure |
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| Formula |
C20H25FN6O2S
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| Molecular Weight |
432.525
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
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| InChI |
InChI=1S/C20H25FN6O2S/c1-11(2)24-15-8-18(25-12-5-6-14-16(7-12)27-30-26-14)22-9-13(15)19(28)23-10-17(21)20(3,4)29/h5-9,11,17,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25)/t17-/m1/s1
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| InChIKey |
NZVRNIFANGYCTN-QGZVFWFLSA-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