General Information of the Compound
| Compound ID |
CP0436702
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| Compound Name |
4-[7-(3-Cyclohexyl-propoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C32H43N5O4
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| Molecular Weight |
561.727
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCC1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C32H43N5O4/c1-23(2)41-26-13-11-25(12-14-26)35-32(38)37-17-15-36(16-18-37)31-27-20-29(39-3)30(21-28(27)33-22-34-31)40-19-7-10-24-8-5-4-6-9-24/h11-14,20-24H,4-10,15-19H2,1-3H3,(H,35,38)
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| InChIKey |
ARFXFEPBCIHGEB-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