General Information of the Compound
| Compound ID |
CP0568540
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| Compound Name |
US11136312, Compound MM-I-87
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| Structure |
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| Formula |
C25H22F4N6
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| Molecular Weight |
482.485
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C25H22F4N6/c26-19-6-7-21-17(13-31-22(21)12-19)11-24-34-33-23(35(24)8-2-5-20-14-30-15-32-20)10-16-3-1-4-18(9-16)25(27,28)29/h1,3-4,6-7,9,12-15,31H,2,5,8,10-11H2,(H,30,32)
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| InChIKey |
HRMZYZYVRKSGFD-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