General Information of the Compound
| Compound ID |
CP0486305
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| Compound Name |
US9266876, 213
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| Structure |
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| Formula |
C21H21F3N8OS
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| Molecular Weight |
490.515
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N8OS/c1-12-9-30(7-8-32(12)16(33)10-31-11-25-13(2)29-31)19-17(28-20(34-19)21(22,23)24)18-26-14-5-3-4-6-15(14)27-18/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)/t12-/m1/s1
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| InChIKey |
OLHGESOLUMYHMP-GFCCVEGCSA-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