General Information of the Compound
| Compound ID |
CP0575865
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| Compound Name |
US11136312, Compound SM-I-76
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| Structure |
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| Formula |
C27H27F3N6
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| Molecular Weight |
492.549
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| Canonical SMILES |
Cn1cc(CCc2nnc(Cc3cccc(c3)C(F)(F)F)n2CCCc2c[nH]cn2)c2ccccc12
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| InChI |
InChI=1S/C27H27F3N6/c1-35-17-20(23-9-2-3-10-24(23)35)11-12-25-33-34-26(36(25)13-5-8-22-16-31-18-32-22)15-19-6-4-7-21(14-19)27(28,29)30/h2-4,6-7,9-10,14,16-18H,5,8,11-13,15H2,1H3,(H,31,32)
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| InChIKey |
IRRZWWOOMULOIA-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