General Information of the Compound
| Compound ID |
CP0528992
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| Compound Name |
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C28H22ClN5O3
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| Molecular Weight |
511.969
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| Canonical SMILES |
Clc1ccc2c(NC(=O)[C@@H](Cc3ccccn3)N(Cc3ccc(cc3)C(=O)Nc3ccccn3)C2=O)c1
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| InChI |
InChI=1S/C28H22ClN5O3/c29-20-11-12-22-23(15-20)32-27(36)24(16-21-5-1-3-13-30-21)34(28(22)37)17-18-7-9-19(10-8-18)26(35)33-25-6-2-4-14-31-25/h1-15,24H,16-17H2,(H,32,36)(H,31,33,35)/t24-/m1/s1
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| InChIKey |
RMQYDNGHCJEWSD-XMMPIXPASA-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