General Information of the Compound
| Compound ID |
CP0327131
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| Compound Name |
2-[3-[1-[(4-chlorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C25H21ClN2O4
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| Molecular Weight |
448.906
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1C1=NCC(=O)N(Cc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H21ClN2O4/c1-32-22-11-8-17(13-24(30)31)12-20(22)25-19-4-2-3-5-21(19)28(23(29)14-27-25)15-16-6-9-18(26)10-7-16/h2-12H,13-15H2,1H3,(H,30,31)
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| InChIKey |
WWTUPLYVAGCTLH-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