General Information of the Compound
| Compound ID |
CP0966260
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| Compound Name |
4-(4-(4-methylpiperazine-1-carbonyl)phenethylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C23H24N6O
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| Molecular Weight |
400.486
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| Canonical SMILES |
CN1CCN(C(=O)c2ccc(CCNc3ncnc4ccc(C#N)cc34)cc2)CC1
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| InChI |
InChI=1S/C23H24N6O/c1-28-10-12-29(13-11-28)23(30)19-5-2-17(3-6-19)8-9-25-22-20-14-18(15-24)4-7-21(20)26-16-27-22/h2-7,14,16H,8-13H2,1H3,(H,25,26,27)
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| InChIKey |
LRSAOBXYBYKPOO-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