General Information of the Compound
| Compound ID |
CP0430974
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| Compound Name |
6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(4-nitrophenyl)ethyl]quinazolin-4-amine
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| Structure |
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| Formula |
C21H23ClN6O2
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| Molecular Weight |
426.908
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCCc2ccc(cc2)[N+]([O-])=O)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C21H23ClN6O2/c1-26-10-12-27(13-11-26)21-24-19-7-4-16(22)14-18(19)20(25-21)23-9-8-15-2-5-17(6-3-15)28(29)30/h2-7,14H,8-13H2,1H3,(H,23,24,25)
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| InChIKey |
NIVXGELVJXSEMX-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