General Information of the Compound
| Compound ID |
CP0542901
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| Compound Name |
AZD0530 analogue 14
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
C(CN1CCCC1)Oc1cc(OC2CCOCC2)c2c(Nc3cccc4OCOc34)ncnc2c1
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| InChI |
InChI=1S/C26H30N4O5/c1-2-9-30(8-1)10-13-32-19-14-21-24(23(15-19)35-18-6-11-31-12-7-18)26(28-16-27-21)29-20-4-3-5-22-25(20)34-17-33-22/h3-5,14-16,18H,1-2,6-13,17H2,(H,27,28,29)
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| InChIKey |
LNJYPLCGMKINCO-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