General Information of the Compound
| Compound ID |
CP0450817
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| Compound Name |
US9012651, 269
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| Structure |
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| Formula |
C18H20FN3O
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| Molecular Weight |
313.376
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1cccc(n1)-c1ccc(F)c(c1)C#N
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| InChI |
InChI=1S/C18H20FN3O/c1-12(2)18(11-23)21-10-15-4-3-5-17(22-15)13-6-7-16(19)14(8-13)9-20/h3-8,12,18,21,23H,10-11H2,1-2H3/t18-/m0/s1
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| InChIKey |
BWDMOQHIGLIHQP-SFHVURJKSA-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