General Information of the Compound
| Compound ID |
CP0381202
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| Compound Name |
4-[[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C21H21ClN6
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| Molecular Weight |
392.894
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2ccc(cc2)C#N)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C21H21ClN6/c1-27-8-10-28(11-9-27)21-25-19-7-6-17(22)12-18(19)20(26-21)24-14-16-4-2-15(13-23)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,24,25,26)
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| InChIKey |
QHUXMPSLZHFJOF-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