General Information of the Compound
| Compound ID |
CP0545938
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| Compound Name |
US9266876, 169
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| Structure |
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| Formula |
C23H20F3N9OS
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| Molecular Weight |
527.536
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cccnc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N9OS/c1-13-10-33(8-9-35(13)16(36)11-34-12-29-15-5-3-7-28-20(15)34)21-17(31-22(37-21)23(24,25)26)19-30-14-4-2-6-27-18(14)32-19/h2-7,12-13H,8-11H2,1H3,(H,27,30,32)/t13-/m1/s1
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| InChIKey |
IXKNDEKCDRZDQZ-CYBMUJFWSA-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