General Information of the Compound
| Compound ID |
CP0579141
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| Compound Name |
US11136312, Compound SK-I-56
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C26H28N6O2/c1-33-21-7-5-18(6-8-21)12-25-30-31-26(32(25)11-3-4-20-16-27-17-29-20)13-19-15-28-24-10-9-22(34-2)14-23(19)24/h5-10,14-17,28H,3-4,11-13H2,1-2H3,(H,27,29)
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| InChIKey |
HYZDNKBSAADONB-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