General Information of the Compound
| Compound ID |
CP0446053
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (2-methyl-thiazol-4-ylmethyl)-amide
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| Structure |
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| Formula |
C27H37N7O2S2
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| Molecular Weight |
555.774
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1csc(C)n1
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| InChI |
InChI=1S/C27H37N7O2S2/c1-20-31-21(18-38-20)17-28-27(37)34-12-10-33(11-13-34)26-22-15-24(35-2)25(16-23(22)29-19-30-26)36-14-6-9-32-7-4-3-5-8-32/h15-16,18-19H,3-14,17H2,1-2H3,(H,28,37)
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| InChIKey |
KOYCHYABQCWZAV-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