General Information of the Compound
| Compound ID |
CP0564871
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| Compound Name |
US9266876, 207
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| Structure |
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| Formula |
C20H18BrF3N8OS
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| Molecular Weight |
555.384
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc(Br)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C20H18BrF3N8OS/c1-11-8-30(6-7-32(11)14(33)9-31-10-25-19(21)29-31)17-15(28-18(34-17)20(22,23)24)16-26-12-4-2-3-5-13(12)27-16/h2-5,10-11H,6-9H2,1H3,(H,26,27)/t11-/m1/s1
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| InChIKey |
VCFWFSFQWMRPOS-LLVKDONJSA-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