General Information of the Compound
| Compound ID |
CP0005250
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| Compound Name |
3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]ethynyl]-5-fluoro-N,N-dimethylaniline
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| Structure |
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| Formula |
C19H20FN3O
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| Molecular Weight |
325.387
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| Canonical SMILES |
CN(C)c1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1
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| InChI |
InChI=1S/C19H20FN3O/c1-23(2)18-8-14(7-16(20)10-18)3-4-15-9-19(12-21-11-15)24-13-17-5-6-22-17/h7-12,17,22H,5-6,13H2,1-2H3/t17-/m0/s1
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| InChIKey |
RAILHHVYJQPGHG-KRWDZBQOSA-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