General Information of the Compound
| Compound ID |
CP0578697
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| Compound Name |
US9056859, 39
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| Structure |
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| Formula |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
Fc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)ccc1[N+]#[C-]
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| InChI |
InChI=1S/C22H22FN7O/c1-24-21-7-4-18(14-20(21)23)8-9-28-10-12-29(13-11-28)22(31)15-17-2-5-19(6-3-17)30-16-25-26-27-30/h2-7,14,16H,8-13,15H2
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| InChIKey |
JHTYVCIMKPTZPO-UHFFFAOYSA-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