General Information of the Compound
| Compound ID |
CP0160363
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| Compound Name |
(3R)-8-chloro-4-[[4-(pyridine-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C28H21ClN4O3
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| Molecular Weight |
496.954
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| Canonical SMILES |
Clc1ccc2c(NC(=O)[C@@H](Cc3ccccn3)N(Cc3ccc(cc3)C(=O)c3ccccn3)C2=O)c1
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| InChI |
InChI=1S/C28H21ClN4O3/c29-20-11-12-22-24(15-20)32-27(35)25(16-21-5-1-3-13-30-21)33(28(22)36)17-18-7-9-19(10-8-18)26(34)23-6-2-4-14-31-23/h1-15,25H,16-17H2,(H,32,35)/t25-/m1/s1
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| InChIKey |
HYHYWUYQRFEFBF-RUZDIDTESA-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
Protein ID: PT06635, Toxin A
Protein ID: PT04302, Toxin B