General Information of the Compound
| Compound ID |
CP0285459
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| Compound Name |
AZD0530 analogue 20
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| Structure |
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| Formula |
C25H28ClN5O4
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| Molecular Weight |
497.983
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| Canonical SMILES |
Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(N3CCOCC3)c12
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| InChI |
InChI=1S/C25H28ClN5O4/c26-18-3-4-21-24(35-16-34-21)23(18)29-25-22-19(27-15-28-25)13-17(33-12-7-30-5-1-2-6-30)14-20(22)31-8-10-32-11-9-31/h3-4,13-15H,1-2,5-12,16H2,(H,27,28,29)
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| InChIKey |
PQDAMTCPPCKPFP-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