General Information of the Compound
| Compound ID |
CP0547032
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| Compound Name |
US11136312, Compound SK-I-105
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| Structure |
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| Formula |
C25H25FN6O
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| Molecular Weight |
444.514
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| Canonical SMILES |
COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C25H25FN6O/c1-33-21-7-4-17(5-8-21)11-24-30-31-25(32(24)10-2-3-20-15-27-16-29-20)12-18-14-28-23-13-19(26)6-9-22(18)23/h4-9,13-16,28H,2-3,10-12H2,1H3,(H,27,29)
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| InChIKey |
LYMDSJLOXOXMHN-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