General Information of the Compound
| Compound ID |
CP0375948
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| Compound Name |
4-(7-Chloro-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C20H20ClN5S
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| Molecular Weight |
397.935
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| Canonical SMILES |
Clc1ccc2c(ncnc2c1)N1CCN(CC1)C(=S)NCc1ccccc1
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| InChI |
InChI=1S/C20H20ClN5S/c21-16-6-7-17-18(12-16)23-14-24-19(17)25-8-10-26(11-9-25)20(27)22-13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,22,27)
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| InChIKey |
UKIUFHVXOQAYIT-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