General Information of the Compound
| Compound ID |
CP0394283
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| Compound Name |
4-{6-Methoxy-7-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C30H39N7O4
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| Molecular Weight |
561.687
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCC1=NCCN1C)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C30H39N7O4/c1-21(2)41-23-9-7-22(8-10-23)34-30(38)37-15-13-36(14-16-37)29-24-18-26(39-4)27(19-25(24)32-20-33-29)40-17-5-6-28-31-11-12-35(28)3/h7-10,18-21H,5-6,11-17H2,1-4H3,(H,34,38)
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| InChIKey |
IVLTUMFMBLDTTO-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