General Information of the Compound
| Compound ID |
CP0568685
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| Compound Name |
US11136312, Compound MM-I-89
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| Structure |
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| Formula |
C24H23FN6
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| Molecular Weight |
414.488
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C24H23FN6/c25-19-8-9-21-18(14-27-22(21)13-19)12-24-30-29-23(11-17-5-2-1-3-6-17)31(24)10-4-7-20-15-26-16-28-20/h1-3,5-6,8-9,13-16,27H,4,7,10-12H2,(H,26,28)
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| InChIKey |
GYNFPVIKWHESNR-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