General Information of the Compound
| Compound ID |
CP0486308
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| Compound Name |
US9266876, 171
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| Structure |
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| Formula |
C22H19F3N10OS
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| Molecular Weight |
528.524
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cncnc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N10OS/c1-12-8-33(5-6-35(12)15(36)9-34-11-29-13-3-2-4-27-19(13)34)20-16(31-21(37-20)22(23,24)25)18-30-14-7-26-10-28-17(14)32-18/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,28,30,32)/t12-/m1/s1
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| InChIKey |
VANOQPQHNBVXJW-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