General Information of the Compound
| Compound ID |
CP0551837
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| Compound Name |
N-benzyl-2,2-dimethyl-N-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]propanamide
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1ccccc1
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| InChI |
InChI=1S/C27H34N4O3/c1-27(2,3)25(33)30(17-20-9-5-4-6-10-20)19-24(32)29-15-13-22(14-16-29)31-18-21-11-7-8-12-23(21)28-26(31)34/h4-12,22H,13-19H2,1-3H3,(H,28,34)
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| InChIKey |
MWMGHRMYGXIANU-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