General Information of the Compound
| Compound ID |
CP0559809
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| Compound Name |
N-[2-(4-chlorophenyl)-5-[[(3R)-2-oxoazepan-3-yl]carbamoyl]phenyl]-3,4,5-trimethoxy-N-methylbenzamide
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| Structure |
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| Formula |
C30H32ClN3O6
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| Molecular Weight |
566.054
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(C)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O
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| InChI |
InChI=1S/C30H32ClN3O6/c1-34(30(37)20-16-25(38-2)27(40-4)26(17-20)39-3)24-15-19(10-13-22(24)18-8-11-21(31)12-9-18)28(35)33-23-7-5-6-14-32-29(23)36/h8-13,15-17,23H,5-7,14H2,1-4H3,(H,32,36)(H,33,35)/t23-/m1/s1
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| InChIKey |
ZBRLFBGHMZDCPP-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