General Information of the Compound
| Compound ID |
CP0327132
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| Compound Name |
2-[4-methoxy-3-[1-[(4-methylphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
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| Structure |
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| Formula |
C26H24N2O4
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| Molecular Weight |
428.488
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1C1=NCC(=O)N(Cc2ccc(C)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H24N2O4/c1-17-7-9-18(10-8-17)16-28-22-6-4-3-5-20(22)26(27-15-24(28)29)21-13-19(14-25(30)31)11-12-23(21)32-2/h3-13H,14-16H2,1-2H3,(H,30,31)
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| InChIKey |
XWNQVEPCBCVYHV-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