General Information of the Compound
| Compound ID |
CP0562367
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| Compound Name |
US8664236, A7
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| Structure |
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| Formula |
C26H24ClN7
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| Molecular Weight |
469.98
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C26H24ClN7/c1-34-15-17(13-31-34)16-10-20-21(14-30-24(20)29-12-16)22-11-23(33-25(28)32-22)26(8-2-3-9-26)18-4-6-19(27)7-5-18/h4-7,10-15H,2-3,8-9H2,1H3,(H,29,30)(H2,28,32,33)
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| InChIKey |
ZSHNZFHYTGXQEH-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