General Information of the Compound
| Compound ID |
CP0526116
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| Compound Name |
AZD0530 analogue 42
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| Structure |
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| Formula |
C28H34ClN5O5
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| Molecular Weight |
556.063
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| Canonical SMILES |
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5OCCOc45)ncnc3c2)CC1
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| InChI |
InChI=1S/C28H34ClN5O5/c1-33-6-8-34(9-7-33)10-13-36-20-16-22-25(24(17-20)39-19-4-11-35-12-5-19)28(31-18-30-22)32-26-21(29)2-3-23-27(26)38-15-14-37-23/h2-3,16-19H,4-15H2,1H3,(H,30,31,32)
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| InChIKey |
IOXLERDREGOQSP-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