General Information of the Compound
| Compound ID |
CP0524451
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[3-(methylaminomethyl)phenyl]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
CNCc1cccc(c1)-c1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C28H28N4O2/c1-29-16-20-6-5-9-22(14-20)23-12-13-25-24(15-23)28(34)32(18-26(33)30-17-19-10-11-19)27(31-25)21-7-3-2-4-8-21/h2-9,12-15,19,29H,10-11,16-18H2,1H3,(H,30,33)
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| InChIKey |
HDIRMAVRHGHMPA-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