General Information of the Compound
| Compound ID |
CP0571131
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| Compound Name |
CHEMBL5093708
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| Formula |
C16H22FN5
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| Molecular Weight |
303.385
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(C)cc(N[C@@H]2CC[C@H](F)CC2)n1
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| InChI |
InChI=1S/C16H22FN5/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h8-9,13-14H,4-7H2,1-3H3,(H,18,19,20)/t13-,14+
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| InChIKey |
MGRQRDPJVVKWSJ-OKILXGFUSA-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