General Information of the Compound
| Compound ID |
CP0426670
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| Compound Name |
1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(1-methylpyrazol-3-yl)ethanone
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| Structure |
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| Formula |
C24H24N6O3
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| Molecular Weight |
444.495
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3ccn(C)n3)c2cc1OC
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| InChI |
InChI=1S/C24H24N6O3/c1-29-8-7-17(28-29)11-23(31)30-9-6-15-10-16(4-5-20(15)30)27-24-18-12-21(32-2)22(33-3)13-19(18)25-14-26-24/h4-5,7-8,10,12-14H,6,9,11H2,1-3H3,(H,25,26,27)
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| InChIKey |
XOUBLVMXYOSTFZ-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