General Information of the Compound
| Compound ID |
CP0327130
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| Compound Name |
2-[3-(1-benzyl-2-oxo-3H-1,4-benzodiazepin-5-yl)-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C25H22N2O4
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| Molecular Weight |
414.461
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1C1=NCC(=O)N(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H22N2O4/c1-31-22-12-11-18(14-24(29)30)13-20(22)25-19-9-5-6-10-21(19)27(23(28)15-26-25)16-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,29,30)
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| InChIKey |
VNYIESSUMLDRIN-UHFFFAOYSA-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