General Information of the Compound
| Compound ID |
CP0401627
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| Compound Name |
2-(7-amino-3-phenyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)-N-(4-nitrobenzyl)acetamide
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCCCC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N5O3/c34-27(29-20-21-13-15-23(16-14-21)33(35)36)19-26-24-11-5-6-12-25(24)30-28(31-17-7-2-8-18-31)32(26)22-9-3-1-4-10-22/h1,3-6,9-16,26H,2,7-8,17-20H2,(H,29,34)
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| InChIKey |
CQNTZXAVQPAATO-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