General Information of the Compound
| Compound ID |
CP0446107
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| Compound Name |
2-(2-chloro-6-methylanilino)-N-[6-(2-cyclopropylethynyl)pyridin-3-yl]-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C27H22ClN5O3
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| Molecular Weight |
499.958
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| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(nc3)C#CC3CC3)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C27H22ClN5O3/c1-15-3-2-4-20(28)22(15)32-27-31-21-13-19(24-25(23(21)33-27)36-12-11-35-24)26(34)30-18-10-9-17(29-14-18)8-7-16-5-6-16/h2-4,9-10,13-14,16H,5-6,11-12H2,1H3,(H,30,34)(H2,31,32,33)
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| InChIKey |
NZLLRLYPDBOKEP-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