General Information of the Compound
| Compound ID |
CP0189045
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| Compound Name |
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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| Structure |
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| Formula |
C27H22ClN5O4
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| Molecular Weight |
515.957
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(CN3[C@H](Cc4cccnc4)C(=O)Nc4cc(Cl)ccc4C3=O)cc2)no1
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| InChI |
InChI=1S/C27H22ClN5O4/c1-16-11-24(32-37-16)31-25(34)19-6-4-17(5-7-19)15-33-23(12-18-3-2-10-29-14-18)26(35)30-22-13-20(28)8-9-21(22)27(33)36/h2-11,13-14,23H,12,15H2,1H3,(H,30,35)(H,31,32,34)/t23-/m1/s1
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| InChIKey |
KOGNICNIYSBIDZ-HSZRJFAPSA-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