General Information of the Compound
| Compound ID |
CP0225381
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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-(5-cyanopyridin-2-yl)-2-methylbenzamide
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| Structure |
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| Formula |
C30H23ClN6O3
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| Molecular Weight |
551.006
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| Canonical SMILES |
Cc1cc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)ccc1C(=O)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C30H23ClN6O3/c1-18-12-19(5-8-23(18)28(38)36-27-10-6-20(15-32)16-34-27)17-37-26(14-22-4-2-3-11-33-22)29(39)35-25-13-21(31)7-9-24(25)30(37)40/h2-13,16,26H,14,17H2,1H3,(H,35,39)(H,34,36,38)/t26-/m1/s1
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| InChIKey |
YEWGKUVELJPGJE-AREMUKBSSA-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