General Information of the Compound
| Compound ID |
CP0424464
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| Compound Name |
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-cyanopyridin-2-yl)benzamide
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| Structure |
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| Formula |
C29H20Cl2N6O3
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| Molecular Weight |
571.424
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| Canonical SMILES |
Clc1ccc2c(NC(=O)[C@@H](Cc3ccccn3)N(Cc3ccc(C(=O)Nc4ccc(cn4)C#N)c(Cl)c3)C2=O)c1
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| InChI |
InChI=1S/C29H20Cl2N6O3/c30-19-6-8-22-24(12-19)35-28(39)25(13-20-3-1-2-10-33-20)37(29(22)40)16-17-4-7-21(23(31)11-17)27(38)36-26-9-5-18(14-32)15-34-26/h1-12,15,25H,13,16H2,(H,35,39)(H,34,36,38)/t25-/m1/s1
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| InChIKey |
SKCIAHPLJDFJPS-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