General Information of the Compound
| Compound ID |
CP0492932
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
CN1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
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| InChI |
InChI=1S/C28H35N5O3/c1-31-13-15-32(16-14-31)12-5-17-36-23-10-11-25-24(18-23)28(35)33(20-26(34)29-19-21-8-9-21)27(30-25)22-6-3-2-4-7-22/h2-4,6-7,10-11,18,21H,5,8-9,12-17,19-20H2,1H3,(H,29,34)
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| InChIKey |
PZRLCPXRVVWVEW-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