General Information of the Compound
| Compound ID |
CP0438201
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[3-[(dimethylamino)methyl]phenyl]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CN(C)Cc1cccc(c1)-c1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C29H30N4O2/c1-32(2)18-21-7-6-10-23(15-21)24-13-14-26-25(16-24)29(35)33(19-27(34)30-17-20-11-12-20)28(31-26)22-8-4-3-5-9-22/h3-10,13-16,20H,11-12,17-19H2,1-2H3,(H,30,34)
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| InChIKey |
NJRNCXIXAUJCEU-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