General Information of the Compound
| Compound ID |
CP0413695
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| Compound Name |
N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine
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| Structure |
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| Formula |
C18H18ClN5
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| Molecular Weight |
339.83
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| Canonical SMILES |
Clc1ccc(Nc2nc(nc3ccccc23)N2CCNCC2)cc1
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| InChI |
InChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)
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| InChIKey |
BULIRMIXOHACFW-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