General Information of the Compound
| Compound ID |
CP0401200
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| Compound Name |
4-[6-Methoxy-7-(2-tetrazol-2-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C26H31N9O4
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| Molecular Weight |
533.593
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCn1ncnn1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C26H31N9O4/c1-18(2)39-20-6-4-19(5-7-20)31-26(36)34-10-8-33(9-11-34)25-21-14-23(37-3)24(15-22(21)27-16-28-25)38-13-12-35-30-17-29-32-35/h4-7,14-18H,8-13H2,1-3H3,(H,31,36)
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| InChIKey |
LQCXSHKSDRJXNC-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