General Information of the Compound
| Compound ID |
CP0471305
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| Compound Name |
US9266876, 228
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| Structure |
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| Formula |
C26H26F3N9OS
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| Molecular Weight |
569.617
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| Canonical SMILES |
CN(C)C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N9OS/c1-35(2)12-16-13-36(10-11-38(16)20(39)14-37-15-31-19-8-5-9-30-23(19)37)24-21(34-25(40-24)26(27,28)29)22-32-17-6-3-4-7-18(17)33-22/h3-9,15-16H,10-14H2,1-2H3,(H,32,33)/t16-/m1/s1
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| InChIKey |
MFAUFNKSQJGPCK-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