General Information of the Compound
| Compound ID |
CP0521085
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| Compound Name |
(S)-2-amino-N-(1-(3-(2-(cyclopropylmethylamino)-2-oxoethyl)-4-oxo-2-phenyl-3,4-dihydroquinazolin-6-yloxy)-4-methylpentan-2-yl)acetamide
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| Structure |
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| Formula |
C28H35N5O4
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| Molecular Weight |
505.619
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| Canonical SMILES |
CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)CN
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| InChI |
InChI=1S/C28H35N5O4/c1-18(2)12-21(31-25(34)14-29)17-37-22-10-11-24-23(13-22)28(36)33(16-26(35)30-15-19-8-9-19)27(32-24)20-6-4-3-5-7-20/h3-7,10-11,13,18-19,21H,8-9,12,14-17,29H2,1-2H3,(H,30,35)(H,31,34)/t21-/m0/s1
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| InChIKey |
LRQPSQBNOPSIOR-NRFANRHFSA-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