General Information of the Compound
| Compound ID |
CP0515253
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| Compound Name |
US9266876, 244
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| Structure |
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| Formula |
C28H34F3N9OS
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| Molecular Weight |
601.703
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(CCN3CCCC3)cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N9OS/c1-17-15-38(12-13-39(17)23(41)16-40-19(3)32-18(2)36-40)26-24(35-27(42-26)28(29,30)31)25-33-21-7-6-20(14-22(21)34-25)8-11-37-9-4-5-10-37/h6-7,14,17H,4-5,8-13,15-16H2,1-3H3,(H,33,34)/t17-/m1/s1
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| InChIKey |
ZEEXLLIVRMDONF-QGZVFWFLSA-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