General Information of the Compound
| Compound ID |
CP0554629
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| Compound Name |
US9266876, 241
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| Structure |
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| Formula |
C23H22F6N8O2S
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| Molecular Weight |
588.538
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F6N8O2S/c1-11-9-35(6-7-36(11)17(38)10-37-13(3)30-12(2)34-37)20-18(33-21(40-20)22(24,25)26)19-31-15-5-4-14(8-16(15)32-19)39-23(27,28)29/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,31,32)/t11-/m1/s1
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| InChIKey |
POBTWDKQPDPAII-LLVKDONJSA-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