General Information of the Compound
| Compound ID |
CP0450640
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| Compound Name |
US10028961, Compound 26
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| Structure |
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| Formula |
C25H23F3N6
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| Molecular Weight |
464.495
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+
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| InChIKey |
LBAZIFOJZOIFON-CALCHBBNSA-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