General Information of the Compound
| Compound ID |
CP0516864
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[4-(4-methylpiperazin-1-yl)butoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C29H37N5O3
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| Molecular Weight |
503.647
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| Canonical SMILES |
CN1CCN(CCCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
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| InChI |
InChI=1S/C29H37N5O3/c1-32-14-16-33(17-15-32)13-5-6-18-37-24-11-12-26-25(19-24)29(36)34(21-27(35)30-20-22-9-10-22)28(31-26)23-7-3-2-4-8-23/h2-4,7-8,11-12,19,22H,5-6,9-10,13-18,20-21H2,1H3,(H,30,35)
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| InChIKey |
ONDNLGZOUHBSOF-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