General Information of the Compound
| Compound ID |
CP0406929
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| Compound Name |
US9266876, 237
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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(cc2[nH]1)C1CCN(C)CC1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N9OS/c1-16-14-38(11-12-39(16)23(41)15-40-18(3)32-17(2)36-40)26-24(35-27(42-26)28(29,30)31)25-33-21-6-5-20(13-22(21)34-25)19-7-9-37(4)10-8-19/h5-6,13,16,19H,7-12,14-15H2,1-4H3,(H,33,34)/t16-/m1/s1
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| InChIKey |
ZVWBATJWOASXRW-MRXNPFEDSA-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