General Information of the Compound
| Compound ID |
CP0501904
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
CN1CCN(CCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
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| InChI |
InChI=1S/C27H33N5O3/c1-30-11-13-31(14-12-30)15-16-35-22-9-10-24-23(17-22)27(34)32(19-25(33)28-18-20-7-8-20)26(29-24)21-5-3-2-4-6-21/h2-6,9-10,17,20H,7-8,11-16,18-19H2,1H3,(H,28,33)
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| InChIKey |
TUDAVQOKSCNDJO-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