General Information of the Compound
| Compound ID |
CP0565323
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| Compound Name |
US9434725, 295
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
COC1(CCCNC1)c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C22H23N7O/c1-15-10-24-13-18(27-15)17-9-19-16(11-25-17)12-26-29(19)21-6-3-5-20(28-21)22(30-2)7-4-8-23-14-22/h3,5-6,9-13,23H,4,7-8,14H2,1-2H3
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| InChIKey |
LKZPAYSWYUKKEK-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