General Information of the Compound
| Compound ID |
CP0545816
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| Compound Name |
US9266876, 217
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| Structure |
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| Formula |
C24H25F3N8OS
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| Molecular Weight |
530.58
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)CN1CCc2[nH]ncc2C1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N8OS/c1-14-11-34(8-9-35(14)19(36)13-33-7-6-16-15(12-33)10-28-32-16)22-20(31-23(37-22)24(25,26)27)21-29-17-4-2-3-5-18(17)30-21/h2-5,10,14H,6-9,11-13H2,1H3,(H,28,32)(H,29,30)/t14-/m1/s1
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| InChIKey |
DYMSYKLLDJDGNE-CQSZACIVSA-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