General Information of the Compound
| Compound ID |
CP0526130
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| Compound Name |
US9266876, 175
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| Structure |
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| Formula |
C21H19ClF3N7OS
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| Molecular Weight |
509.945
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)cn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C21H19ClF3N7OS/c1-12-9-30(6-7-32(12)16(33)11-31-10-13(22)8-26-31)19-17(29-20(34-19)21(23,24)25)18-27-14-4-2-3-5-15(14)28-18/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28)/t12-/m1/s1
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| InChIKey |
TYEIUZNQACCUFA-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