General Information of the Compound
| Compound ID |
CP0414962
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| Compound Name |
4-[7-(3-Amino-propoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C26H34N6O4
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| Molecular Weight |
494.596
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C26H34N6O4/c1-18(2)36-20-7-5-19(6-8-20)30-26(33)32-12-10-31(11-13-32)25-21-15-23(34-3)24(35-14-4-9-27)16-22(21)28-17-29-25/h5-8,15-18H,4,9-14,27H2,1-3H3,(H,30,33)
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| InChIKey |
UZBPWWSSGCWVFM-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