General Information of the Compound
| Compound ID |
CP0449911
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| Compound Name |
4-Quinazolin-4-yl-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C20H21N5S
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| Molecular Weight |
363.49
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| Canonical SMILES |
S=C(NCc1ccccc1)N1CCN(CC1)c1ncnc2ccccc12
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| InChI |
InChI=1S/C20H21N5S/c26-20(21-14-16-6-2-1-3-7-16)25-12-10-24(11-13-25)19-17-8-4-5-9-18(17)22-15-23-19/h1-9,15H,10-14H2,(H,21,26)
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| InChIKey |
CJRLEEFSYTXKPA-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