General Information of the Compound
| Compound ID |
CP0447771
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| Compound Name |
4-[7-(3-Ethanesulfonyl-propoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H37N5O6S
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| Molecular Weight |
571.7
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| Canonical SMILES |
CCS(=O)(=O)CCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC
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| InChI |
InChI=1S/C28H37N5O6S/c1-5-40(35,36)16-6-15-38-26-18-24-23(17-25(26)37-4)27(30-19-29-24)32-11-13-33(14-12-32)28(34)31-21-7-9-22(10-8-21)39-20(2)3/h7-10,17-20H,5-6,11-16H2,1-4H3,(H,31,34)
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| InChIKey |
UGCKGZAGSUTTKH-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