General Information of the Compound
| Compound ID |
CP0538285
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| Compound Name |
N-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-chloroquinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C22H23ClN6OS
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| Molecular Weight |
454.987
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| Canonical SMILES |
CC(=O)Nc1cc2c(ncnc2cc1Cl)N1CCN(CC1)C(=S)NCc1ccccc1
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| InChI |
InChI=1S/C22H23ClN6OS/c1-15(30)27-20-11-17-19(12-18(20)23)25-14-26-21(17)28-7-9-29(10-8-28)22(31)24-13-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,31)(H,27,30)
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| InChIKey |
XYJLQNMUEAJOTN-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