General Information of the Compound
| Compound ID |
CP0430790
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| Compound Name |
4-{6-Methoxy-7-[3-(2-methyl-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 |
C30H41N5O6S
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| Molecular Weight |
599.754
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCS(=O)(=O)CC(C)C)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C30H41N5O6S/c1-21(2)19-42(37,38)16-6-15-40-28-18-26-25(17-27(28)39-5)29(32-20-31-26)34-11-13-35(14-12-34)30(36)33-23-7-9-24(10-8-23)41-22(3)4/h7-10,17-18,20-22H,6,11-16,19H2,1-5H3,(H,33,36)
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| InChIKey |
KYKHCOJWGFWADS-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