General Information of the Compound
| Compound ID |
CP0546363
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| Compound Name |
US9266876, 173
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| Structure |
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| Formula |
C21H20F3N7OS
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| Molecular Weight |
475.5
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3N7OS/c1-13-11-29(9-10-31(13)16(32)12-30-8-4-7-25-30)19-17(28-20(33-19)21(22,23)24)18-26-14-5-2-3-6-15(14)27-18/h2-8,13H,9-12H2,1H3,(H,26,27)/t13-/m1/s1
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| InChIKey |
CRYXEDQPNCNOKN-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