General Information of the Compound
| Compound ID |
CP0496474
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| Compound Name |
CHEMBL5075747
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| Formula |
C18H19FN6O
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| Molecular Weight |
354.389
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| Canonical SMILES |
Fc1cnn(c1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1
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| InChI |
InChI=1S/C18H19FN6O/c19-13-9-23-25(10-13)14-4-12(5-14)17-8-18(21-11-20-17)26-16-6-15(7-16)24-3-1-2-22-24/h1-3,8-12,14-16H,4-7H2/t12-,14-,15-,16+
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| InChIKey |
CFZVBCFMPIZPJA-HJBGHLGXSA-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