General Information of the Compound
| Compound ID |
CP0403328
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| Compound Name |
4-{6-Methoxy-7-[3-(propane-1-sulfonyl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C29H39N5O6S
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| Molecular Weight |
585.727
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| Canonical SMILES |
CCCS(=O)(=O)CCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC
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| InChI |
InChI=1S/C29H39N5O6S/c1-5-16-41(36,37)17-6-15-39-27-19-25-24(18-26(27)38-4)28(31-20-30-25)33-11-13-34(14-12-33)29(35)32-22-7-9-23(10-8-22)40-21(2)3/h7-10,18-21H,5-6,11-17H2,1-4H3,(H,32,35)
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| InChIKey |
OSLJJXSRAHNNSR-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