General Information of the Compound
| Compound ID |
CP0470790
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| Compound Name |
(S)-2-amino-N-((S)-1-(3-(2-(cyclopropylmethylamino)-2-oxoethyl)-4-oxo-2-phenyl-3,4-dihydroquinazolin-6-yloxy)-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
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| Structure |
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| Formula |
C35H41N5O5
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| Molecular Weight |
611.743
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| Canonical SMILES |
CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C35H41N5O5/c1-22(2)16-26(38-34(43)30(36)17-23-10-12-27(41)13-11-23)21-45-28-14-15-31-29(18-28)35(44)40(20-32(42)37-19-24-8-9-24)33(39-31)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,26,30,41H,8-9,16-17,19-21,36H2,1-2H3,(H,37,42)(H,38,43)/t26-,30-/m0/s1
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| InChIKey |
MAJHTPOIAFPGQS-YZNIXAGQSA-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