General Information of the Compound
| Compound ID |
CP0451244
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| Compound Name |
4-(6-Amino-7-chloro-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C20H21ClN6S
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| Molecular Weight |
412.95
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| Canonical SMILES |
Nc1cc2c(ncnc2cc1Cl)N1CCN(CC1)C(=S)NCc1ccccc1
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| InChI |
InChI=1S/C20H21ClN6S/c21-16-11-18-15(10-17(16)22)19(25-13-24-18)26-6-8-27(9-7-26)20(28)23-12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12,22H2,(H,23,28)
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| InChIKey |
AVBJDAGBNFAPAJ-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