General Information of the Compound
| Compound ID |
CP0501134
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| Compound Name |
AZD0530 analogue 41
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| Structure |
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| Formula |
C27H31ClN4O5
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| Molecular Weight |
527.021
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| Canonical SMILES |
Clc1ccc2OCCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(OC3CCOCC3)c12
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| InChI |
InChI=1S/C27H31ClN4O5/c28-20-3-4-22-26(36-14-13-35-22)25(20)31-27-24-21(29-17-30-27)15-19(34-12-9-32-7-1-2-8-32)16-23(24)37-18-5-10-33-11-6-18/h3-4,15-18H,1-2,5-14H2,(H,29,30,31)
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| InChIKey |
IISZZGZXIRZBNF-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