General Information of the Compound
| Compound ID |
CP0497141
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| Compound Name |
N-[2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethyl]acetamide
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| Structure |
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| Formula |
C17H23ClN6O
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| Molecular Weight |
362.865
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCCNC(C)=O)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C17H23ClN6O/c1-12(25)19-5-6-20-16-14-11-13(18)3-4-15(14)21-17(22-16)24-9-7-23(2)8-10-24/h3-4,11H,5-10H2,1-2H3,(H,19,25)(H,20,21,22)
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| InChIKey |
HXGVSXFZDANOND-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