General Information of the Compound
| Compound ID |
CP0429851
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| Compound Name |
methyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylimino]-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
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| Structure |
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| Formula |
C27H36N4O4
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| Molecular Weight |
480.609
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| Canonical SMILES |
COC(=O)CC1N(C(NCCCCCNC(=O)OC(C)(C)C)=Nc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C27H36N4O4/c1-27(2,3)35-26(33)29-18-12-6-11-17-28-25-30-22-16-10-9-15-21(22)23(19-24(32)34-4)31(25)20-13-7-5-8-14-20/h5,7-10,13-16,23H,6,11-12,17-19H2,1-4H3,(H,28,30)(H,29,33)
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| InChIKey |
BCKICSSPDNUGHL-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