General Information of the Compound
| Compound ID |
CP0965760
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| Compound Name |
4-(2-(6-(morpholine-4-carbonyl)naphthalen-2-yl)ethylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C26H23N5O2
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| Molecular Weight |
437.503
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| Canonical SMILES |
N#Cc1ccc2ncnc(NCCc3ccc4cc(C(=O)N5CCOCC5)ccc4c3)c2c1
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| InChI |
InChI=1S/C26H23N5O2/c27-16-19-2-6-24-23(14-19)25(30-17-29-24)28-8-7-18-1-3-21-15-22(5-4-20(21)13-18)26(32)31-9-11-33-12-10-31/h1-6,13-15,17H,7-12H2,(H,28,29,30)
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| InChIKey |
YYKNXRLEIIIMFO-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