General Information of the Compound
| Compound ID |
CP0435407
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H42N6O3S
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| Molecular Weight |
578.783
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C31H42N6O3S/c1-23(2)40-25-10-8-24(9-11-25)34-31(41)37-17-15-36(16-18-37)30-26-20-28(38-3)29(21-27(26)32-22-33-30)39-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,41)
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| InChIKey |
SMVMVLQDVLTYTK-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