General Information of the Compound
| Compound ID |
CP0867590
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methyl-benzoyl)-(3-phenyl-2,3-ditritio-propyl)amino]methyl]phenyl]acetic acid
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| Structure |
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| Formula |
C28H31NO5
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| Molecular Weight |
465.5740986
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| Canonical SMILES |
[3H]C(CN(Cc1ccc(CC(=O)O)cc1)C(=O)c1cc(OC)c(C)c(OC)c1)C([3H])c1ccccc1
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| InChI |
InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)/i7T,10T
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| InChIKey |
WGABOZPQOOZAOI-CFVHTYOOSA-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