General Information of the Compound
| Compound ID |
CP0578657
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| Compound Name |
US11136312, Compound SK-I-124
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| Structure |
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| Formula |
C26H23F2N7
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| Molecular Weight |
471.515
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C26H23F2N7/c27-18-3-5-21-16(12-30-23(21)10-18)8-25-33-34-26(35(25)7-1-2-20-14-29-15-32-20)9-17-13-31-24-11-19(28)4-6-22(17)24/h3-6,10-15,30-31H,1-2,7-9H2,(H,29,32)
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| InChIKey |
VGAIZXCXOWVPIB-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