General Information of the Compound
| Compound ID |
CP0376328
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| Compound Name |
AZD0530 analogue 3
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| Structure |
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| Formula |
C21H21ClN4O3
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| Molecular Weight |
412.877
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| Canonical SMILES |
CN1CCC(CC1)Oc1cccc2ncnc(Nc3c4OCOc4ccc3Cl)c12
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| InChI |
InChI=1S/C21H21ClN4O3/c1-26-9-7-13(8-10-26)29-16-4-2-3-15-18(16)21(24-11-23-15)25-19-14(22)5-6-17-20(19)28-12-27-17/h2-6,11,13H,7-10,12H2,1H3,(H,23,24,25)
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| InChIKey |
CNYPBGCIPQWFIF-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