General Information of the Compound
| Compound ID |
CP0401860
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| Compound Name |
US10028961, Compound 30
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| Structure |
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| Formula |
C23H23F3N6
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| Molecular Weight |
440.473
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| Canonical SMILES |
C[C@@H](Nc1nc(NC2(CC2)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C23H23F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,27,29,30,31,32)/t14-/m1/s1
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| InChIKey |
MMQKYUIBTNHALE-CQSZACIVSA-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