General Information of the Compound
| Compound ID |
CP0577513
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| Compound Name |
US11453683, Example 120
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| Structure |
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| Formula |
C28H30FN7O
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| Molecular Weight |
499.594
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| Canonical SMILES |
CN(C)C1CN(C1)c1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C28H30FN7O/c1-34(2)19-14-36(15-19)28-32-26-23(27(33-28)35-12-17-7-8-18(13-35)31-17)11-30-25(24(26)29)22-10-20(37)9-16-5-3-4-6-21(16)22/h3-6,9-11,17-19,31,37H,7-8,12-15H2,1-2H3
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| InChIKey |
BCYBVVNGDKJJAX-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