General Information of the Compound
| Compound ID |
CP0967228
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| Compound Name |
4-(2-(7-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl)ethylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
CN1CCN(C(=O)c2ccc3ccc(CCNc4ncnc5ccc(C#N)cc45)cc3c2)CC1
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| InChI |
InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)22-6-5-21-4-2-19(14-23(21)16-22)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)
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| InChIKey |
IDUSFDWGKIHLEG-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