General Information of the Compound
| Compound ID |
CP0418506
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| Compound Name |
4-(6-Amino-7-ethylamino-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C22H27N7S
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| Molecular Weight |
421.574
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| Canonical SMILES |
CCNc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1N
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| InChI |
InChI=1S/C22H27N7S/c1-2-24-20-13-19-17(12-18(20)23)21(27-15-26-19)28-8-10-29(11-9-28)22(30)25-14-16-6-4-3-5-7-16/h3-7,12-13,15,24H,2,8-11,14,23H2,1H3,(H,25,30)
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| InChIKey |
GPAFALHWHLKNJH-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