General Information of the Compound
| Compound ID |
CP0954006
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| Compound Name |
US9328120, 9
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| Structure |
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| Formula |
C19H21F2N5OS
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| Molecular Weight |
405.474
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| Canonical SMILES |
Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cs1
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| InChI |
InChI=1S/C19H21F2N5OS/c1-10-23-15(9-28-10)12-2-3-13(12)16-24-17-14(18(27)25-16)8-22-26(17)11-4-6-19(20,21)7-5-11/h8-9,11-13H,2-7H2,1H3,(H,24,25,27)/t12-,13-/m1/s1
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| InChIKey |
MPUNRENYBDJLLS-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