General Information of the Compound
| Compound ID |
CP0372201
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| Compound Name |
methyl 2-[2-(5-aminopentylimino)-3-(4-phenylphenyl)-1,4-dihydroquinazolin-4-yl]acetate
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
COC(=O)CC1N(C(NCCCCCN)=Nc2ccccc12)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H32N4O2/c1-34-27(33)20-26-24-12-6-7-13-25(24)31-28(30-19-9-3-8-18-29)32(26)23-16-14-22(15-17-23)21-10-4-2-5-11-21/h2,4-7,10-17,26H,3,8-9,18-20,29H2,1H3,(H,30,31)
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| InChIKey |
IAVHQTHZEBUNLX-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