General Information of the Compound
| Compound ID |
CP0471468
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| Compound Name |
US10028961, Compound 305
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| Structure |
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| Formula |
C23H28F4N6
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| Molecular Weight |
464.511
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| Canonical SMILES |
FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C1CC1
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| InChI |
InChI=1S/C23H28F4N6/c24-22(25)10-6-15(7-11-22)28-20-31-19(18-3-1-2-17(30-18)14-4-5-14)32-21(33-20)29-16-8-12-23(26,27)13-9-16/h1-3,14-16H,4-13H2,(H2,28,29,31,32,33)
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| InChIKey |
PNHZDKHPDZVPGP-UHFFFAOYSA-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