General Information of the Compound
| Compound ID |
CP0577908
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| Compound Name |
US10336717, Compound 102
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| Structure |
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| Formula |
C26H23ClFN3O2
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| Molecular Weight |
463.94
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1OC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C26H23ClFN3O2/c1-31-24(29)30-26(33-31)22-14-18(19-12-20(27)15-21(28)13-19)6-7-23(22)32-25(26)10-8-16-4-2-3-5-17(16)9-11-25/h2-7,12-15H,8-11H2,1H3,(H2,29,30)
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| InChIKey |
WRKJLKBNPYAIOF-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