General Information of the Compound
| Compound ID |
CP0575866
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| Compound Name |
US11136312, Compound MM-I-66
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| Structure |
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| Formula |
C25H23F3N6
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| Molecular Weight |
464.495
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| Canonical SMILES |
FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C25H23F3N6/c26-25(27,28)19-6-3-5-17(11-19)12-23-32-33-24(34(23)10-4-7-20-15-29-16-31-20)13-18-14-30-22-9-2-1-8-21(18)22/h1-3,5-6,8-9,11,14-16,30H,4,7,10,12-13H2,(H,29,31)
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| InChIKey |
UEGBJJMDFDQDAV-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