General Information of the Compound
| Compound ID |
CP0364985
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| Compound Name |
US8680275, 165
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| Structure |
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| Formula |
C23H23FN6O
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| Molecular Weight |
418.476
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-c1cncnc1
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| InChI |
InChI=1S/C23H23FN6O/c1-14-7-15(2)28-23(27-14)30-11-16-5-6-29(12-21(16)30)22(31)20-8-18(24)3-4-19(20)17-9-25-13-26-10-17/h3-4,7-10,13,16,21H,5-6,11-12H2,1-2H3/t16-,21-/m0/s1
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| InChIKey |
XUPCMGYHEMYXNZ-KKSFZXQISA-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